FIRST_ACCESSION,NAME,Name2,Name3,SMILES,NEUTRAL_EXACT_MASS,FORMULA,StdInChI,CAS_RN,PUBCHEM_CID,InChIKey,CHEMSPIDER_ID,DTXSID,COLLISION_ENERGY,FRAGMENTATION_MODE,COLUMN_NAME,RETENTION_TIME,PRECURSOR_MZ,PRECURSOR_TYPE
AC000001,Mellein,Ochracin,"8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one",CC1CC2=C(C(=CC=C2)O)C(=O)O1,178.06299,C10H10O3,"InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3",17397-85-2,28516,KWILGNNWGSNMPA-UHFFFAOYSA-N,26529,DTXSID60891794,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.44,179.0697,[M+H]+
AC000006,AAL toxin TB,"2-[2-[(3R,4R,5S,7S,14R,16S)-17-amino-4,14,16-trihydroxy-3,7-dimethylheptadecan-5-yl]oxy-2-oxoethyl]butanedioic acid",,CC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H](CN)O)O)OC(=O)CC(CC(=O)O)C(=O)O)O,505.32508,C25H47NO9,"InChI=1S/C25H47NO9/c1-4-17(3)24(32)21(35-23(31)13-18(25(33)34)12-22(29)30)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-28,32H,4-15,26H2,1-3H3,(H,29,30)(H,33,34)/t16-,17+,18?,19+,20-,21-,24+/m0/s1",149849-90-1,102004382,CTXQVLLVFBNZKL-YVEDVMJTSA-N,NA,DTXSID20891795,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.69,506.3318,[M+H]+
AC000016,Aflatoxin B1,"(6aR,9aS)-4-Methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione",,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1,312.06337,C17H12O6,"InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1",1162-65-8,186907,OQIQSTLJSLGHID-WNWIJWBNSA-N,162470,DTXSID9020035,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.1,313.0701,[M+H]+
AC000026,Aflatoxin B2,"(6aR,9aS)-4-Methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione",,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1,314.07902,C17H14O6,"InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1",7220-81-7,2724360,WWSYXEZEXMQWHT-WNWIJWBNSA-N,2006507,DTXSID70222535,20(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3,315.0858,[M+H]+
AC000032,Aflatoxin G1,"5-Methoxy-3,4,7a,10a-tetrahydro-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione",,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1,328.05828,C17H12O7,"InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1",1165-39-5,14421,XWIYFDMXXLINPU-WNWIJWBNSA-N,13775,DTXSID6040959,30(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.04,329.065,[M+H]+
AC000038,Aflatoxin G2,"(7aR,10aS)-5-Methoxy-3,4,7a,9,10,10a-hexahydro-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione",,COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1,330.07393,C17H14O7,"InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1",7241-98-7,2724362,WPCVRWVBBXIRMA-WNWIJWBNSA-N,2006509,DTXSID80891796,30(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.95,331.0807,[M+H]+
AC000044,Aflatoxin M1,"(6aR,9aR)-9a-Hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione",,COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)O[C@@H]5[C@]4(C=CO5)O,328.05828,C17H12O7,"InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1",6795-23-9,15558498,MJBWDEQAUQTVKK-IAGOWNOFSA-N,21169428,DTXSID40891797,30(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.8,329.065,[M+H]+
AC000050,alpha-Cyclopiazonic acid,"(6aR,11aS,11bR)-10-Acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one",,CC(=O)C1=C([C@@H]2[C@@H]3[C@@H](CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O,336.14739,C20H20N2O3,"InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17+/m1/s1",18172-33-3,54682463,SZINUGQCTHLQAZ-DQYPLSBCSA-N,21106432,DTXSID00891798,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.87,337.1541,[M+H]+
AC000055,Altenuene,"(2S,3S,4aS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-3,4-dihydro-2H-benzo[c]chromen-6-one",,C[C@]12C[C@@H]([C@H](C=C1C3=CC(=CC(=C3C(=O)O2)O)OC)O)O,292.09468,C15H16O6,"InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15-/m0/s1",29752-43-0,34687,MMHTXEATDNFMMY-WBIUFABUSA-N,31922,DTXSID60891799,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.88,293.1014,[M+H]+
AC000060,Alternariol,"3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one",,CC1=CC(=CC2=C1C3=CC(=CC(=C3C(=O)O2)O)O)O,258.05281,C14H10O5,"InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3",641-38-3,5359485,CEBXXEKPIIDJHL-UHFFFAOYSA-N,4514301,DTXSID80214305,30(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.17,259.0595,[M+H]+
AC000063,Alternariol methyl ether,"Alternariol monomethyl ether, Djalonensone","3,7-dihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one",CC1=CC(=CC2=C1C3=CC(=CC(=C3C(=O)O2)O)OC)O,272.06846,C15H12O5,"InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3",23452-05-3,5360741,LCSDQFNUYFTXMT-UHFFFAOYSA-N,4514573,DTXSID30178004,30(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.64,273.0752,[M+H]+
AC000066,Altersolanol A,"(1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione",,C[C@]1([C@@H]([C@H](C2=C([C@H]1O)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O)O)O,336.0845,C16H16O8,"InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1",22268-16-2,89644,VSMBLBOUQJNJIL-JJXSEGSLSA-N,80909,DTXSID10891800,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.52,337.0912,[M+H]+
AC000071,Averufin,Averufine,,C[C@]12CCC[C@H](O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=C(C=C5C4=O)O)O,368.08959,C20H16O7,"InChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1",14016-29-6,131171,RYFFZJHGQCKWMV-YUNKPMOVSA-N,553843,DTXSID10891789,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.27,369.0963,[M+H]+
AC000076,Brevianamide A,"(1R,3S,5R,7R)-4,4-Dimethyl-13H-spiro[9,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-5,2'-indole]-3',8,13(1'H)-trione",,CC1([C@@H]2C[C@@]34CCCN3C(=O)[C@]2(C[C@]15C(=O)C6=CC=CC=C6N5)NC4=O)C,365.17394,C21H23N3O3,"InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21-/m0/s1",23402-09-7,99771,MWOFPQAPILIIPR-DJJZHVJBSA-N,21447237,DTXSID90891803,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.92,366.1807,[M+H]+
AC000081,Chaetoglobosin A,,,C[C@H]\1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C,528.26243,C32H36N2O5,"InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1",50335-03-0,6438437,OUMWCYMRLMEZJH-VOXRAUTJSA-N,4942914,DTXSID20891790,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.68,529.2692,[M+H]+
AC000090,Chaetoglobosin C,,,C[C@H]/1C/C=C\[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)CCC(=O)C(=O)/C(=C1)/C)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C,528.26243,C32H36N2O5,"InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27,29,33H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7-,18-14-/t17-,19-,22-,24-,27-,29-,31+,32+/m0/s1",50645-76-6,102093917,RIZAHVBYKWUPHQ-MASOQXDXSA-N,10235105,DTXSID50891804,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.82,529.2692,[M+H]+
AC000095,Culmorin,"InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3",,C[C@@]12CCCC([C@H]3[C@@H]1[C@@H](C[C@@]2(C3O)C)O)(C)C,238.1933,C15H26O2,"InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12?,14-,15-/m1/s1",18374-83-9,115285,VWMGBHVRRNKOAE-PDMNRUCYSA-N,327532,DTXSID10891805,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.53,239.2,[M+H]+
AC000100,5-hydroxyculmorin,"(1S,3R,3aS,4R,6R,8aR,9R)-Decahydro-1,5,5,8a-tetramethyl-1,4-methanoazulene-3,6,9-triol",,C[C@@]12CC[C@H](C([C@H]3[C@@H]1[C@@H](C[C@@]2(C3O)C)O)(C)C)O,254.18821,C15H26O3,"InChI=1S/C15H26O3/c1-13(2)9(17)5-6-14(3)10-8(16)7-15(14,4)12(18)11(10)13/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12?,14-,15-/m1/s1",139680-63-0,NA,XFKGEQRMYJCXFK-YTAGIEBCSA-N,58828268,DTXSID70891806,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.56,237.1844,[M-H2O+H]+
AC000110,Deoxynivalenol,Vomitoxin,"12,13-Epoxy-3-alpha,7-alpha,15-trihydroxy-9-trichothecen-8-one",CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO,296.12598,C15H20O6,"InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1",51481-10-8,40024,LINOMUASTDIRTM-QGRHZQQGSA-N,36584,DTXSID3020382,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.3,297.1327,[M+H]+
AC000115,"3,15-Diacetyldeoxynivalenol","3,15-Bis(acetyloxy)-12,13-epoxy-7-hydroxytrichothec-9-en-8-one (3alpha)-",,CC1=C[C@@H]2[C@](C(C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)COC(=O)C,380.1471,C19H24O8,"InChI=1S/C19H24O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-13,15-16,23H,6-8H2,1-4H3/t12-,13-,15?,16-,17-,18-,19+/m1/s1",99604-10-1,21120844,RANGFOQREJPKIH-QZQWDYNDSA-N,NA,DTXSID30891807,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.2,381.1538,[M+H]+
AC000120,Diacetoxyscirpenol,"Anguidine, Anguidin","(3beta,4alpha,12R)-3-Hydroxy-12,13-epoxytrichothec-9-ene-4,15-diyl diacetate",CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,366.16785,C19H26O7,"InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-/m1/s1",2270-40-8,91518,AUGQEEXBDZWUJY-ZLJUKNTDSA-N,82639,DTXSID80891791,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.05,367.1746,[M+H]+
AC000130,Emodin,Emodol,"1,3,8-trihydroxy-6-methylanthracene-9,10-dione",CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O,270.05281,C15H10O5,"InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3",518-82-1,3220,RHMXXJGYXNZAPX-UHFFFAOYSA-N,3107,DTXSID5025231,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.82,271.0595,[M+H]+
AC000135,Frequentin,Frequentine,"6-[(1E,3E)-hepta-1,3-dienyl]-3,4-dihydroxy-2-oxocyclohexane-1-carbaldehyde",CCC/C=C/C=C/[C@@H]1C[C@H]([C@H](C(=O)[C@H]1C=O)O)O,252.13616,C14H20O4,"InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,9-12,14,16,18H,2-3,8H2,1H3/b5-4+,7-6+/t10-,11+,12-,14-/m1/s1",29119-03-7,6036812,MHZVWXOKIRZLCJ-XZQMCIKJSA-N,4574406,DTXSID50891809,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.68,253.1429,[M+H]+
AC000140,Fusarenone-X,"(3beta,4alpha,7alpha)-3,7,15-Trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-4-yl acetate",,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO,354.13145,C17H22O8,"InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17+/m1/s1",23255-69-8,304599,XGCUCFKWVIWWNW-CAYGJDLQSA-N,269377,DTXSID1020649,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.46,355.1382,[M+H]+
AC000150,HT-2 Toxin,"12,13-Epoxytrichothec-9-ene-3-alpha,4-beta,8-alpha,15-tetrol 15-acetate 8-isovalerate",,CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C,424.20971,C22H32O8,"InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1",26934-87-2,10093830,PNKLMTPXERFKEN-MLXHEQMXSA-N,8269366,DTXSID60891810,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.14,425.2164,[M+H]+
AC000160,Isomarticin,,,CC12CC3=C(C4=C(C(=O)C=C(C4=O)OC)C(=C3C(O1)C[C@@H](O2)C(=O)O)O)O,376.07941,C18H16O9,"InChI=1S/C18H16O9/c1-18-5-6-11(8(26-18)4-10(27-18)17(23)24)16(22)12-7(19)3-9(25-2)15(21)13(12)14(6)20/h3,8,10,20,22H,4-5H2,1-2H3,(H,23,24)/t8?,10-,18?/m1/s1",19196-46-4,NA,HNMWDXUKPJZOQD-XPBDJYBLSA-N,NA,DTXSID20891811,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.18,377.0861,[M+H]+
AC000165,Koninginin A,,,CCCCCC[C@H]1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]([C@@]3(O2)O1)O)O,284.19877,C16H28O4,"InChI=1S/C16H28O4/c1-2-3-4-5-6-13-14-9-7-11-12(17)8-10-15(18)16(11,19-13)20-14/h11-15,17-18H,2-10H2,1H3/t11-,12-,13+,14+,15+,16-/m1/s1",125291-65-8 ,386851,GBDGOAVPCDIMFE-VTMBPIDISA-N,9110215,DTXSID60891815,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.5,285.2055,[M+H]+
AC000170,Koninginin E,"(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one",,CCCCCC[C@@H]([C@@H]1CCC2=C(O1)[C@@H](CCC2=O)O)O,282.18312,C16H26O4,"InChI=1S/C16H26O4/c1-2-3-4-5-6-13(18)15-10-7-11-12(17)8-9-14(19)16(11)20-15/h13-15,18-19H,2-10H2,1H3/t13-,14+,15-/m0/s1",154631-25-1,11426065,INHVGPIPHZJQOP-ZNMIVQPWSA-N,9600941,DTXSID00891814,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.57,283.1899,[M+H]+
AC000175,Kotanin,"8-(4,7-dimethoxy-5-methyl-2-oxochromen-8-yl)-4,7-dimethoxy-5-methylchromen-2-one",,CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)OC)OC,438.13145,C24H22O8,"InChI=1S/C24H22O8/c1-11-7-13(27-3)21(23-19(11)15(29-5)9-17(25)31-23)22-14(28-4)8-12(2)20-16(30-6)10-18(26)32-24(20)22/h7-10H,1-6H3",27909-08-6,34059,CSJOUDOXDHMIAH-UHFFFAOYSA-N,31389,DTXSID00182193,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.58,439.1382,[M+H]+
AC000185,Macrosporin,"1,7-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione",,CC1=C(C=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O,284.06846,C16H12O5,"InChI=1S/C16H12O5/c1-7-3-9-10(6-12(7)17)16(20)14-11(15(9)19)4-8(21-2)5-13(14)18/h3-6,17-18H,1-2H3",22225-67-8,159926,FKTPLNFTYJEAAB-UHFFFAOYSA-N,140602,DTXSID50176769,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.79,285.0752,[M+H]+
AC000189,Meleagrin,Meleagrine,,CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)OC)O,433.17499,C23H23N5O4,"InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1",71751-77-4,23728435,JTJJJLSLKZFEPJ-ZAYCRUKZSA-N,23510990,DTXSID80891812,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.68,434.1817,[M+H]+
AC000194,Neosolaniol,,,CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,382.16276,C19H26O8,"InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19-/m0/s1",36519-25-2,13818797,TVZHDVCTOCZDNE-WVJYZQHISA-N,24703851,DTXSID40891813,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.84,383.1695,[M+H]+
AC000204,Ochratoxin A,OTA,(-)-N-((5-Chloro-8-hydroxy-3-methyl-1-oxo-7-isochromanyl)carbonyl)-3-phenylalanine,C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl,403.08225,C20H18ClNO6,"InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1",303-47-9,442530,RWQKHEORZBHNRI-BMIGLBTASA-N,390954,DTXSID7021073,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.6,404.089,[M+H]+
AC000214,Roquefortine C,Roquefortine,"2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethylene)-",CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C\C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25,389.18517,C22H23N5O2,"InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9-/t17-,20-,22+/m0/s1",58735-64-1,21608802,SPWSUFUPTSJWNG-LIMLNZRCSA-N,4941441,DTXSID20891816,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.77,390.1919,[M+H]+
AC000224,Sterigmatocystin,Sterigmatocystine,"(3aR,12cS)-8-Hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one",COC1=C2C(=C3[C@@H]4C=CO[C@@H]4OC3=C1)OC5=C(C2=O)C(=CC=C5)O,324.06337,C18H12O6,"InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1",10048-13-2,5280389,UTSVPXMQSFGQTM-DCXZOGHSSA-N,4444077,DTXSID2021280,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.74,325.0701,[M+H]+
AC000229,Stipitatic acid,Stipitatate,"5,6-dihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid",C1=C(C=C(C(=CC1=O)O)O)C(=O)O,182.02151,C8H6O5,"InChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,10-11H,(H,12,13)",4440-39-5,20501,ZGKNMKBZOSTFCB-UHFFFAOYSA-N,19955692,DTXSID80891817,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.29,183.0282,[M+H]+
AC000233,T-2 Toxin,Fusariotoxin T 2; Insariotoxin; T-2 mycotoxin,"(2alpha,3alpha,4beta,8alpha)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate",CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,466.22027,C24H34O9,"InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1",21259-20-1,5284461,BXFOFFBJRFZBQZ-QYWOHJEZSA-N,58828722,DTXSID6021298,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.56,467.227,[M+H]+
AC000243,Traversianal,"(1R,3aR,4E,6aS,7S,9aR,10aR)-3a-Hydroxy-7-isopropenyl-1,9a-dimethyl-3-oxo-1,2,3,3a,6,6a,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-4-carbaldehyde",,C[C@@H]1CC(=O)[C@]/2([C@@H]1C[C@]3(CC[C@@H]([C@@H]3C/C=C2/C=O)C(=C)C)C)O,316.20386,C20H28O3,"InChI=1S/C20H28O3/c1-12(2)15-7-8-19(4)10-17-13(3)9-18(22)20(17,23)14(11-21)5-6-16(15)19/h5,11,13,15-17,23H,1,6-10H2,2-4H3/b14-5-/t13-,15-,16+,17-,19-,20+/m1/s1",108605-66-9,6442110,QXVAWAHULUVLPT-FHIBGDQLSA-N,4946207,DTXSID40891818,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.55,317.2106,[M+H]+
AC000248,Trichoverrol A,"[4b(2Z,4E,6S,7S)]-4-(6,7-dihydroxy-2,4-octadienoate) 12,13-Epoxy-trichothec-9-ene-4,15-diol",,CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)OC(=O)/C=C\C=C\[C@@H]([C@H](C)O)O)C)CO,420.2148,C23H32O7,"InChI=1S/C23H32O7/c1-14-8-9-22(12-24)18(10-14)29-19-11-17(21(22,3)23(19)13-28-23)30-20(27)7-5-4-6-16(26)15(2)25/h4-7,10,15-19,24-26H,8-9,11-13H2,1-3H3/b6-4+,7-5-/t15-,16-,17+,18+,19+,21+,22+,23-/m0/s1",76739-71-4,101649339,QFKRKMXPKBHGGO-OYWHZMLYSA-N,10274911,DTXSID00891819,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.3,421.2215,[M+H]+
AC000258,Verrucarin J,Muconomycin B,,CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCOC(=O)/C=C/C=C/C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)\C,484.20971,C27H32O8,"InChI=1S/C27H32O8/c1-17-8-10-26-15-32-24(30)13-18(2)9-11-31-22(28)6-4-5-7-23(29)35-19-14-21(34-20(26)12-17)27(16-33-27)25(19,26)3/h4-7,12-13,19-21H,8-11,14-16H2,1-3H3/b6-4+,7-5+,18-13+/t19-,20-,21-,25-,26-,27+/m1/s1",4643-58-7,6437363,GXCGYHWSYNQVHU-UGAPSZEOSA-N,10210057,DTXSID10891820,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.97,485.2164,[M+H]+
AC000268,Verrucarol,,,CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)O)C)CO,266.15181,C15H22O4,"InChI=1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-6-10(17)13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3/t10-,11-,12-,13-,14-,15+/m1/s1",2198-92-7,10038552,ZSRVBNXAPSQDFY-OJVARPOJSA-N,8214117,DTXSID00891793,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.52,267.1585,[M+H]+
AC000273,Viridicatin,3-hydroxy-4-phenyl-1H-quinolin-2-one,,C1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC=C32)O,237.07898,C15H11NO2,"InChI=1S/C15H11NO2/c17-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-15(14)18/h1-9,17H,(H,16,18)",129-24-8,67206,QSRVMXWVVMILDI-UHFFFAOYSA-N,60543,DTXSID10156022,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.39,238.0857,[M+H]+
AC000278,Walleminone,"(1R,4S,5S,6R,9R)-5,6-dihydroxy-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecan-3-one",,C[C@H]1[C@@H]([C@@H](CC(=C)[C@@H]2CC([C@@H]2CC1=O)(C)C)O)O,252.17255,C15H24O3,"InChI=1S/C15H24O3/c1-8-5-13(17)14(18)9(2)12(16)6-11-10(8)7-15(11,3)4/h9-11,13-14,17-18H,1,5-7H2,2-4H3/t9-,10+,11-,13-,14+/m1/s1",221536-63-6,15431312,NGQXJSTYWWTPOG-VGYDOTAVSA-N,NA,DTXSID40891792,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.44,253.1793,[M+H]+
AC000288,Zearalenone,F2 Toxin,"(2E,11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,15,17-tetraene-7,13-dione",C[C@H]1CCCC(=O)CCC/C=C/C2=CC(=CC(=C2C(=O)O1)O)O,318.14672,C18H22O5,"InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1",17924-92-4,5281576,MBMQEIFVQACCCH-QBODLPLBSA-N,4444897,DTXSID0021460,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.65,319.1535,[M+H]+
AC000293,Ergocorninine,"12'-Hydroxy-2',5'a-bis(1-methylethyl)-8a-ergotaman-3',6',18-trione",,CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O,561.29511,C31H39N5O5,"InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1",564-36-3,73453,UJYGDMFEEDNVBF-OGGGUQDZSA-N,8183574,DTXSID10891860,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.74,562.3018,[M+H]+
AC000303,Ergocryptinine,,,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O,575.31077,C32H41N5O5,"InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25-,26-,31+,32-/m0/s1",511-10-4,10875520,YDOTUXAWKBPQJW-JJANYQHSSA-N,9050795,DTXSID00891859,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.8,576.3175,[M+H]+
AC000313,Ergometrine,ergonovine; ergobasine,"(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C,325.17903,C19H23N3O2,"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1",60-79-7,443884,WVVSZNPYNCNODU-XTQGRXLLSA-N,391970,DTXSID8046323,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.26,326.1858,[M+H]+
AC000318,Ergometrinine,Ergonovinine;Ergobasinine,"(6aR,9S)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",C[C@@H](CO)NC(=O)[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C,325.17903,C19H23N3O2,"InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13-,17+/m0/s1",479-00-5,5486180,WVVSZNPYNCNODU-PLQHRBFRSA-N,4588887,DTXSID90893241,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.36,326.1858,[M+H]+
AC000323,Chanoclavine-I,Chanoclavine-I; Isochanoclavin,"(E)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol",C/C(=C\[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/CO,256.15757,C16H20N2O,"InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1",2390-99-0,5281381,SAHHMCVYMGARBT-HEESEWQSSA-N,4444739,DTXSID50893242,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.37,257.1643,[M+H]+
AC000327,Ergovaline,"12'-hydroxy-2'-methyl-5' alpha-(1-methylethyl)-ergotaman-3',6',18-trione",,CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O,533.26381,C29H35N5O5,"InChI=1S/C29H35N5O5/c1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17/h5,7-8,11,13,15,17,21-22,24,30,38H,6,9-10,12,14H2,1-4H3,(H,31,35)/t17-,21-,22+,24+,28-,29+/m1/s1",2873-38-3,104843,BGHDUTQZGWOQIA-VQSKNWBGSA-N,94635,DTXSID10893243,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.58,534.2705,[M+H]+
AC000332,Ergosine,"12'-hydroxy-2'-methyl-5' alpha-(2-methylpropyl)-8 alpha-ergotaman-3',6',18-trione",,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O,547.27946,C30H37N5O5,"InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22-,23+,24+,29-,30+/m1/s1",561-94-4,105137,NESVMZOPWPCFAU-ZPRCMDFASA-N,94851,DTXSID50893989,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.66,548.2862,[M+H]+
AC000337,Ergocryptine,"12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)ergotaman-3',6',18-trione",,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O,575.31077,C32H41N5O5,"InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1",511-09-1,134551,YDOTUXAWKBPQJW-NSLWYYNWSA-N,118591,DTXSID70893244,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.75,576.3175,[M+H]+
AC000342,Ergotamine,Ergotamin; ergotaminum,"12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione",C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C,581.26381,C33H35N5O5,"InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1",379-79-3,8223,XCGSFFUVFURLIX-VFGNJEKYSA-N,7930,DTXSID9043774,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.7,582.2705,[M+H]+
AC000347,Ergocristam,"(6aR,9R)-N-[(2S)-1-[(3S,8aR)-3-benzyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide",,CC(C)[C@@H](C(=O)N1[C@H](C(=O)N2CCC[C@@H]2C1=O)CC3=CC=CC=C3)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C,593.3002,C35H39N5O4,"InChI=1S/C35H39N5O4/c1-20(2)31(35(44)40-29(15-21-9-5-4-6-10-21)33(42)39-14-8-13-27(39)34(40)43)37-32(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-28(25)38(3)19-23/h4-7,9-12,16,18,20,23,27-29,31,36H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28-,29+,31+/m1/s1",50868-53-6,101428704,KMDKLWZQLMBIBS-HVWSGMRBSA-N,58828136,DTXSID70893269,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.79,594.3069,[M+H]+
AC000352,Ergocristine,"12'-hydroxy-2'-(1-methyl)-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione",,CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C,609.29511,C35H39N5O5,"InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1",511-08-0,31116,HEFIYUQVAZFDEE-MKTPKCENSA-N,28873,DTXSID40891858,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.78,610.3018,[M+H]+
AC000357,Ergocristinine," (8alpha)-5'alpha-Benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione",,CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C,609.29511,C35H39N5O5,"InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27+,28-,29-,34+,35-/m0/s1",511-07-9,7067483,HEFIYUQVAZFDEE-NASJTFDLSA-N,5422629,DTXSID60862080,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.85,610.3018,[M+H]+
AC000362,Deoxynivalenol-3-glucoside,"(3alpha,7beta,12epsilon)-7,15-Dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3-yl beta-D-glucopyranoside",,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)CO,458.17879,C21H30O11,"InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1",131180-21-7,71312510,PUMXWMGECQIOGB-SMSDQXDJSA-N,159174,DTXSID10891865,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.2,459.1855,[M+H]+
AC000372,15-Acetyldeoxynivalenol,15-monoacetyldeoxynivalenol,,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)COC(=O)C,338.13654,C17H22O7,"InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1",88337-96-6,10382483,IDGRYIRJIFKTAN-HTJQZXIKSA-N,8557926,DTXSID20891851,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.71,339.1433,[M+H]+
AC000382,3-Acetyldeoxynivalenol,3-monoacetyldeoxynivalenol,,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO,338.13654,C17H22O7,"InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1",50722-38-8,5458510,ADFIQZBYNGPCGY-HTJQZXIKSA-N,94569,DTXSID60891850,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.77,339.1433,[M+H]+
AC000392,NX2 toxin,,,CC1=C[C@@H]2[C@]([C@@]3(C)C[C@@H](OC(C)=O)[C@@H](O2)[C@@]34CO4)(CO)[C@H](O)C1,324.15728,C17H24O6,"InChI=1S/C17H24O6/c1-9-4-12(20)16(7-18)13(5-9)23-14-11(22-10(2)19)6-15(16,3)17(14)8-21-17/h5,11-14,18,20H,4,6-8H2,1-3H3/t11-,12-,13-,14-,15-,16+,17+/m1/s1",NA,NA,NKCFJIIVGLENIK-NOCMYWHHSA-N,NA,DTXSID40894046,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.75,325.164,[M+H]+
AC000402,"7,8-Dihydroxy calonectrin",,,CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C,382.16276,C19H26O8,"InChI=1S/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3",95673-99-7,557474,JSKXQQKSUOVSKS-UHFFFAOYSA-N,NA,DTXSID10241922,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.9,365.1589,[M-H2O+H]+
AC000407,Alantrypinone,"(1'S,3S,12'S)-12'-Methyl-3'H,15'H-spiro[indole-3,13'-[2,10,16]triazatetracyclo[10.2.2.02,11.04,9]hexadeca[4,6,8,10]tetraene]-2,3',15'(1H)-trione",,C[C@]12C3=NC4=CC=CC=C4C(=O)N3[C@H](C[C@@]15C6=CC=CC=C6NC5=O)C(=O)N2,372.12223,C21H16N4O3,"InChI=1S/C21H16N4O3/c1-20-18-22-13-8-4-2-6-11(13)17(27)25(18)15(16(26)24-20)10-21(20)12-7-3-5-9-14(12)23-19(21)28/h2-9,15H,10H2,1H3,(H,23,28)(H,24,26)/t15-,20+,21+/m1/s1",NA,10666980,COXWNIZQNAMTQL-NQERJWCQSA-N,9935174,DTXSID70891846,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.74,373.129,[M+H]+
AC000415,Bassanolide,"(3S,6R,9S,12R,15S,18R,21S,24R)-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,12,18,24-tetra(propan-2-yl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone",,CC(C)C[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C,908.60858,C48H84N4O12,"InChI=1S/C48H84N4O12/c1-25(2)21-33-45(57)61-38(30(11)12)42(54)50(18)35(23-27(5)6)47(59)63-40(32(15)16)44(56)52(20)36(24-28(7)8)48(60)64-39(31(13)14)43(55)51(19)34(22-26(3)4)46(58)62-37(29(9)10)41(53)49(33)17/h25-40H,21-24H2,1-20H3/t33-,34-,35-,36-,37+,38+,39+,40+/m0/s1",64763-82-2,89254632,QVZZPLDJERFENQ-NKTUOASPSA-N,52084768,DTXSID40891833,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.96,926.6419,[M+NH4]+
AC000425,Citrinin,Antimycin,"(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid",C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C,250.08411,C13H14O5,"InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)/t5-,7-/m1/s1",518-75-2,54680783,CBGDIJWINPWWJW-IYSWYEEDSA-N,10222475,DTXSID8020333,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.32,249.0774,[M-H]-
AC000435,Enniatin A1,,,CC[C@H](C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)[C@@H](C)CC)C)C(C)C)C(C)C)C)C(C)C,667.44079,C35H61N3O9,"InChI=1S/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m0/s1",4530-21-6,57339253,OWUREPXBPJFMOK-CIRFPNLUSA-N,28184660,DTXSID50891864,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",5.85,668.4475,[M+H]+
AC000444,Enniatin A,,,CC[C@H](C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)[C@@H](C)CC)C)C(C)C)[C@@H](C)CC)C)C(C)C,681.45644,C36H63N3O9,"InChI=1S/C36H63N3O9/c1-16-22(10)25-34(43)46-29(20(6)7)32(41)38(14)27(24(12)18-3)36(45)48-30(21(8)9)33(42)39(15)26(23(11)17-2)35(44)47-28(19(4)5)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+/m0/s1",2503-13-1,57339252,TWHBYJSVDCWICV-BHZTXFQCSA-N,28184659,DTXSID90891863,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",6.67,682.4632,[M+H]+
AC000453,Enniatin B,,,CC(C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C,639.40948,C33H57N3O9,"InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1",917-13-5,164754,MIZMDSVSLSIMSC-VYLWARHZSA-N,144430,DTXSID30891862,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.78,640.4162,[M+H]+
AC000462,Enniatin B1,,,CC[C@H](C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C,653.42513,C34H59N3O9,"InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1",19914-20-6,11262300,UQCSETXJXJTMKO-UMURLBKASA-N,9437321,DTXSID70891861,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",5.18,654.4319,[M+H]+
AC000471,Fumonisin B1,Macrofusine,,CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O,721.38845,C34H59NO15,"InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1",116355-83-0,2733487,UVBUBMSSQKOIBE-DSLOAKGESA-N,2015282,DTXSID6020644,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.71,722.3952,[M+H]+
AC000480,Fumonisin B2,,,CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O,705.39354,C34H59NO14,"InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1",116355-84-1,2733489,UXDPXZQHTDAXOZ-STOIETHLSA-N,2015284,DTXSID80891857,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.88,706.4003,[M+H]+
AC000489,Fumonisin B3,,,CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCCCC[C@@H]([C@@H](C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O,705.39354,C34H59NO14,"InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22+,23?,24?,25+,26-,27-,32+/m0/s1",136379-59-4,71312439,CPCRJSQNWHCGOP-ZBUYIUKQSA-N,2299162,DTXSID20891856,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.83,706.4003,[M+H]+
AC000499,Penitrem A,,,CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O,633.28572,C37H44ClNO6,"InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1",12627-35-9,6610243,JDUWHZOLEDOQSR-JKPSMKLGSA-N,10202291,DTXSID00320093,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.21,634.2925,[M+H]+
AC000503,Bostrycin,Rhodosporin,"(5R,6R,7S)-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione",C[C@@]1(CC2=C(C3=C(C(=O)C=C(C3=O)OC)C(=C2[C@H]([C@H]1O)O)O)O)O,336.0845,C16H16O8,"InChI=1S/C16H16O8/c1-16(23)4-5-8(14(21)15(16)22)13(20)9-6(17)3-7(24-2)12(19)10(9)11(5)18/h3,14-15,18,20-23H,4H2,1-2H3/t14-,15-,16+/m1/s1",21879-81-2,30839,ZQNOLGRKZRDRQO-OAGGEKHMSA-N,28612,DTXSID60891835,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.59,337.0912,[M+H]+
AC000508,Griseofulvin,"Amudane, Fulvicin, Grisactin","(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione",C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC,352.07135,C17H17ClO6,"InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1",126-07-8,441140,DDUHZTYCFQRHIY-RBHXEPJQSA-N,389934,DTXSID8020674,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.32,353.0781,[M+H]+
AC000513,Nivalenol,"(3alpha,4beta,7alpha)-3,4,7,15-tetrahydroxy-12,13-epoxytrichothec-9-en-8-one\",,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)CO,312.12089,C15H20O7,"InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15+/m1/s1",23282-20-4,5284433,UKOTXHQERFPCBU-XBXCNEFVSA-N,29515,DTXSID3021067,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.15,313.1276,[M+H]+
AC000520,iso-Roridine E,,,CC1=CC2C3(CC1)COC(=O)/C=C(/CCOC(/C=C/C=C/C(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)\C,514.25667,C29H38O8,"InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6+,19-14+",64726-84-7,5458516,KEEQQEKLEZRLDS-UZFWBDJGSA-N,NA,DTXSID60891855,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.78,515.2634,[M+H]+
AC000530,Marticin,"2,6-Epoxy-2H-naphth(2,3-d)oxocin-4-carboxylic acid, 1,4,5,6,7,12-hexahydro-8,11-dihydroxy-10-methoxy-2-methyl-7,12-dioxo-, (2alpha,4alpha,6alpha)-(+)-",,CC12CC3=C(C4=C(C(=O)C=C(C4=O)OC)C(=C3C(O1)CC(O2)C(=O)O)O)O,376.07941,C18H16O9,"InChI=1S/C18H16O9/c1-18-5-6-11(8(26-18)4-10(27-18)17(23)24)16(22)12-7(19)3-9(25-2)15(21)13(12)14(6)20/h3,8,10,20,22H,4-5H2,1-2H3,(H,23,24)",19196-45-3,3084307,HNMWDXUKPJZOQD-UHFFFAOYSA-N,2341395,DTXSID80891837,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.28,375.0727,[M-H]-
AC000540,Cercosporin,,,C[C@H](CC1=C(C(=C2C(=O)C=C3C4=C5C(=CC(=O)C6=C(C(=C(C(=C56)C1=C42)C[C@@H](C)O)OC)O)OCO3)O)OC)O,534.15258,C29H26O10,"InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3/t10-,11-/m1/s1",35082-49-6,91617,MXLWQNCWIIZUQT-GHMZBOCLSA-N,10188562,DTXSID40891853,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.63,535.1593,[M+H]+
AC000545,Chaetoviridin A,"(6aS)-5-chloro-9-[(2S,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]furo[2,3-h]isochromene-6,8-dione",,CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3(C(=C(C(=O)O3)C(=O)[C@@H](C)[C@@H](C)O)C2=CO1)C)Cl,432.13396,C23H25ClO6,"InChI=1S/C23H25ClO6/c1-6-11(2)7-8-14-9-15-16(10-29-14)18-17(20(26)12(3)13(4)25)22(28)30-23(18,5)21(27)19(15)24/h7-13,25H,6H2,1-5H3/b8-7+/t11-,12-,13+,23-/m0/s1",128252-98-2,6450533,HWSQVPGTQUYLEQ-CCBHEJLASA-N,4953135,DTXSID80893270,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.21,433.1407,[M+H]+
AC000550,Roquefortine A,Isofumigaclavine A,"[(6aR,9S,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-10-yl] acetate",C[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2[C@@H]1OC(=O)C)C,298.16813,C18H22N2O2,"InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17+,18+/m0/s1",58800-19-4,101286186,GJSSYQDXZLZOLR-QMHBMSAFSA-N,NA,DTXSID10891840,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.46,299.1749,[M+H]+
AC000555,Roridin A,,,C[C@@H]1CCO[C@H](/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4)[C@@H](C)O,532.26723,C29H40O9,"InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1",14729-29-4,9915017,NSFWWJIQIKBZMJ-PAGWOCKZSA-N,10292586,DTXSID00891839,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.46,533.274,[M+H]+
AC000564,Rugulosin,,,CC1=CC(=C2C(=C1)C(=O)[C@]34[C@@H]5C(C6C3C([C@@H]([C@]67C(=C(C8=C(C=C(C=C8C7=O)C)O)O)C5=O)C(=O)C4=C2O)O)O)O,542.12127,C30H22O10,"InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-36H,1-2H3/t15?,16?,19-,20-,23?,24?,29-,30-/m1/s1",23537-16-8,10053075,QFDPVUTXKUGISP-NVWQCAADSA-N,56511,DTXSID40891838,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.75,543.128,[M+H]+
AC000569,Sambucinol,,,CC1=C[C@]23[C@](CC1)([C@]4(C[C@@H]([C@H]([C@]4(O2)CO)O3)O)C)C,266.15181,C15H22O4,"InChI=1S/C15H22O4/c1-9-4-5-12(2)13(3)7-10(17)11-14(13,8-16)19-15(12,6-9)18-11/h6,10-11,16-17H,4-5,7-8H2,1-3H3/t10-,11+,12+,13+,14+,15+/m0/s1",90044-33-0,5459101,GFLMBFRNOPTZDK-CMBQYIQPSA-N,10212194,DTXSID30891842,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.91,267.1585,[M+H]+
AC000574,Beauvericin,"(3S,6R,9S,12R,15S,18R)-3,9,15-tribenzyl-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone",,CC(C)[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C,783.40948,C45H57N3O9,"InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1",26048-05-5,3007984,GYSCAQFHASJXRS-FFCOJMSVSA-N,2277520,DTXSID00891834,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.65,784.4162,[M+H]+
AC000583,Satratoxin F,,,CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC(C5O)(/C=C\C=C/C(=O)OC6C3(C7(CO7)C(C6)O2)C)C(=O)C,542.21518,C29H34O10,"InChI=1S/C29H34O10/c1-16-7-9-26-14-34-23(32)22-28(39-22)10-11-35-27(17(2)30,24(28)33)8-5-4-6-21(31)38-18-13-20(37-19(26)12-16)29(15-36-29)25(18,26)3/h4-6,8,12,18-20,22,24,33H,7,9-11,13-15H2,1-3H3/b6-4-,8-5-",73513-01-6,101307900,SJCPVUVBUQDGKN-VXWIUBPCSA-N,10204343,DTXSID50891849,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.45,543.2219,[M+H]+
AC000592,Satratoxin G,,,CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC(C5O)(/C=C/C=C\C(=O)OC6C3(C7(CO7)C(C6)O2)C)C(C)O,544.23084,C29H36O10,"InChI=1S/C29H36O10/c1-16-7-9-26-14-34-23(32)22-28(39-22)10-11-35-27(17(2)30,24(28)33)8-5-4-6-21(31)38-18-13-20(37-19(26)12-16)29(15-36-29)25(18,26)3/h4-6,8,12,17-20,22,24,30,33H,7,9-11,13-15H2,1-3H3/b6-4-,8-5+",53126-63-9,6437354,GTONGKBINDTWOM-QXMOYCCXSA-N,10204342,DTXSID50891844,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.18,545.2376,[M+H]+
AC000601,Satratoxin H,,,CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C/4\CCO[C@@]([C@@H]4O)(/C=C/C=C/C(=O)OC5[C@]3([C@]6(CO6)[C@@H](C5)O2)C)[C@H](C)O,528.23593,C29H36O9,"InChI=1S/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4+,9-5+,19-13+/t18-,20?,21+,22+,25+,26+,27+,28-,29-/m0/s1",53126-64-0,56928155,MUACSCLQRGEGOE-MOCAONITSA-N,16736977,DTXSID10891845,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.25,529.2427,[M+H]+
AC000610,Stachybocin B,"(2S)-6-[(3R,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]-2-[(2R,3S,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]hexanoic acid",,C[C@@H]1CCC2[C@@]([C@@]13CC4=C(C=C5C(=C4O3)CN(C5=O)CCCC[C@@H](C(=O)O)N6CC7=C8C(=C(C=C7C6=O)O)C[C@@]9(O8)[C@@H](CCC1[C@@]9(C[C@H]([C@H](C1(C)C)O)O)C)C)O)(CC[C@H](C2(C)C)O)C,898.49797,C52H70N2O11,"InChI=1S/C52H70N2O11/c1-26-12-14-38-47(3,4)40(58)16-17-49(38,7)51(26)21-30-35(55)19-28-32(41(30)64-51)24-53(44(28)60)18-10-9-11-34(46(62)63)54-25-33-29(45(54)61)20-36(56)31-22-52(65-42(31)33)27(2)13-15-39-48(5,6)43(59)37(57)23-50(39,52)8/h19-20,26-27,34,37-40,43,55-59H,9-18,21-25H2,1-8H3,(H,62,63)/t26-,27-,34+,37-,38?,39?,40-,43-,49+,50+,51-,52-/m1/s1",NA,10509958,ZRTGPZGAMCJZNA-CRDDFVEESA-N,NA,DTXSID90891848,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.07,899.5047,[M+H]+
AC000618,Stachybocin C,"(2S)-2-[(3R,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]-6-[(2R,3S,7R,8R,8aS)-2,3,4'-trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]hexanoic acid",,C[C@@H]1CCC2[C@@]([C@@]13CC4=C(C=C5C(=C4O3)CN(C5=O)[C@@H](CCCCN6CC7=C8C(=C(C=C7C6=O)O)C[C@@]9(O8)[C@@H](CCC1[C@@]9(C[C@H]([C@H](C1(C)C)O)O)C)C)C(=O)O)O)(CC[C@H](C2(C)C)O)C,898.49797,C52H70N2O11,"InChI=1S/C52H70N2O11/c1-26-12-14-38-47(3,4)40(58)16-17-49(38,7)51(26)21-30-36(56)20-29-33(42(30)64-51)25-54(45(29)61)34(46(62)63)11-9-10-18-53-24-32-28(44(53)60)19-35(55)31-22-52(65-41(31)32)27(2)13-15-39-48(5,6)43(59)37(57)23-50(39,52)8/h19-20,26-27,34,37-40,43,55-59H,9-18,21-25H2,1-8H3,(H,62,63)/t26-,27-,34+,37-,38?,39?,40-,43-,49+,50+,51-,52-/m1/s1",NA,10677176,GBUQOBUNFQDAQG-CRDDFVEESA-N,NA,DTXSID20891836,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.07,899.5047,[M+H]+
AC000627,T-2 tetraol,T-2 toxin tetraol,"3-alpha,4-beta,8-alpha,15-Tetrahydroxy-12,13-epoxytrichothec-9-ene",CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)CO,298.14163,C15H22O6,"InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3/t8-,9+,10+,11+,12+,13+,14+,15?/m0/s1",34114-99-3,3034745,ZAXZBJSXSOISTF-ZSTBYQRGSA-N,2299156,DTXSID10893263,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.26,299.1484,[M+H]+
AC000632,Tentoxin,cycloleucyl-N-methylalanylglycyl-N-methyl dehydrophenylalanine,"(3S,6S,12Z)-12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone",C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\C2=CC=CC=C2)/C(=O)NCC(=O)N1C)C)CC(C)C,414.2267,C22H30N4O4,"InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-/t15-,17-/m0/s1",28540-82-1,5281143,SIIRBDOFKDACOK-LFXZBHHUSA-N,4444584,DTXSID70893264,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.15,415.2334,[M+H]+
AC000637,Tenuazonic acid,"(2R)-4-acetyl-2-[(2S)-butan-2-yl]-3-hydroxy-1,2-dihydropyrrol-5-one",,CC[C@H](C)[C@H]1C(=C(C(=O)N1)C(=O)C)O,197.10519,C10H15NO3,"InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)/t5-,8-/m0/s1",610-88-8,54723289,CEIZFXOZIQNICU-XNCJUZBTSA-N,19953674,DTXSID30893265,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.16,198.1119,[M+H]+
AC000642,Zeranol,zearanol,"(7R,11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one",C[C@H]1CCC[C@@H](CCCCCC2=CC(=CC(=C2C(=O)O1)O)O)O,322.17803,C18H26O5,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1",26538-44-3,2999413,DWTTZBARDOXEAM-GXTWGEPZSA-N,2271133,DTXSID4022315,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.25,305.1742,[M-H2O+H]+
AC000647,Alternaric acid,"(E,2S)-2-hydroxy-2-[(1R,2S)-1-hydroxy-2-methylbutyl]-9-[(6R)-6-methyl-2,4-dioxooxan-3-yl]-6-methylidene-9-oxonon-3-enoic acid",,CC[C@H](C)[C@H]([C@@](/C=C/CC(=C)CCC(=O)C1C(=O)C[C@H](OC1=O)C)(C(=O)O)O)O,410.19406,C21H30O8,"InChI=1S/C21H30O8/c1-5-13(3)18(24)21(28,20(26)27)10-6-7-12(2)8-9-15(22)17-16(23)11-14(4)29-19(17)25/h6,10,13-14,17-18,24,28H,2,5,7-9,11H2,1,3-4H3,(H,26,27)/b10-6+/t13-,14+,17?,18+,21-/m0/s1",10088-62-7,101297698,OFVHHCDOMZQVQV-ZICDYRIUSA-N,4942632,DTXSID80891852,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.51,433.1827,[M+Na]+
AC000650,Patulin,Clavacin; Expansin,,C1C=C2C(=CC(=O)O2)C(O1)O,154.0266,C7H6O4,"InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2",149-29-1,4696,ZRWPUFFVAOMMNM-UHFFFAOYSA-N,4534,DTXSID2021101,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.24,153.0199,[M-H]-
AC000655,Fumonisin B4,,,CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCCCC[C@@H]([C@H](C)N)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O,689.39863,C34H59NO13,"InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23-,24+,25+,26-,27-,32+/m0/s1",136379-60-7,42608359,WYYKRDVIBOEORL-JLCKPESSSA-N,22913871,DTXSID40893271,20(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.02,688.3919,[M-H]-
AC000662,Fumiquinazoline H,,,CC(C)C[C@H]1C(=O)N2C(N1)[C@@]3(C[C@@H]4C(=O)N[C@](O3)(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72,485.20629,C27H27N5O4,"InChI=1S/C27H27N5O4/c1-14(2)12-18-23(35)31-19-11-7-5-9-16(19)27(25(31)29-18)13-20-21(33)30-26(3,36-27)24-28-17-10-6-4-8-15(17)22(34)32(20)24/h4-11,14,18,20,25,29H,12-13H2,1-3H3,(H,30,33)/t18-,20+,25?,26+,27+/m0/s1",278184-55-7,101027374,SJNRYASCJOVKHZ-MBLBISRUSA-N,8728308,DTXSID20893315,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.32,508.195,[M+Na]+
AC000666,Penicillic Acid,"(2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid",,CC(=C)C(=O)/C(=C/C(=O)O)/OC,170.0579,C8H10O4,"InChI=1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4-",90-65-3,1268111,VOUGEZYPVGAPBB-XQRVVYSFSA-N,1064791,DTXSID1074830,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.61,171.0646,[M+H]+
AC000671,Scleroderolide,"furo[2',3':5,6]napho[1,8-BC]pyran-5,6-dione,8,9-dihydro-3,7-dihydroxy-1,8,8,9-tetramethyl-,(9S)-",,C[C@H]1C(C2=C(O1)C3=C4C(=C2O)C(=O)C(=O)OC4=C(C=C3C)O)(C)C,328.09468,C18H16O6,"InChI=1S/C18H16O6/c1-6-5-8(19)15-10-9(6)16-12(18(3,4)7(2)23-16)13(20)11(10)14(21)17(22)24-15/h5,7,19-20H,1-4H3/t7-/m0/s1",108354-17-2,13786694,MYDJDVOVZVSVIE-ZETCQYMHSA-N,NA,DTXSID50893262,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.54,329.1014,[M+H]+
AC000676,Mycophenolic acid, Mycophenolate; Myfortic; Melbex,(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid,CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)O)OC,320.12598,C17H20O6,"InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+",24280-93-1,446541,HPNSFSBZBAHARI-RUDMXATFSA-N,393865,DTXSID4041070,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.36,319.1192,[M-H]-
AC000686,Herqueichrysin,,,CC1C(C2=C(O1)C3=C4C(=C2O)C(=CC(=O)C4=C(C(=C3O)O)OC)C)(C)C,356.12598,C20H20O6,"InChI=1S/C20H20O6/c1-7-6-9(21)11-12-10(7)15(22)14-18(26-8(2)20(14,3)4)13(12)16(23)17(24)19(11)25-5/h6,8,22-24H,1-5H3",35943-23-8,304248,RFUGLBPILINWDW-UHFFFAOYSA-N,269041,DTXSID60307845,20(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.35,357.1327,[M+H]+
AC000690,Kojic Acid,5-hydroxy-2-(hydroxymethyl)pyran-4-one,,C1=C(OC=C(C1=O)O)CO,142.0266,C6H6O4,"InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2",501-30-4,3840,BEJNERDRQOWKJM-UHFFFAOYSA-N,3708,DTXSID2040236,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",1.55,143.0333,[M+H]+
AC000695,Phacidin,6-methoxy-5-nonanoyl-4-oxopyran-2-carbaldehyde,,CCCCCCCCC(=O)C1=C(OC(=CC1=O)C=O)OC,294.14672,C16H22O5,"InChI=1S/C16H22O5/c1-3-4-5-6-7-8-9-13(18)15-14(19)10-12(11-17)21-16(15)20-2/h10-11H,3-9H2,1-2H3",54835-75-5,122734,YTVPBUCDNKECDB-UHFFFAOYSA-N,109414,DTXSID70891841,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.04,295.1535,[M+H]+
AC000700,Aurofusarin,Airofusorin,"5-hydroxy-7-(5-hydroxy-8-methoxy-2-methyl-4,6,9-trioxobenzo[g]chromen-7-yl)-8-methoxy-2-methylbenzo[g]chromene-4,6,9-trione",CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=CC6=C(C(=O)C=C(O6)C)C(=C5C4=O)O)OC,570.07979,C30H18O12,"InChI=1S/C30H18O12/c1-9-5-13(31)19-15(41-9)7-11-17(25(19)35)27(37)21(29(39-3)23(11)33)22-28(38)18-12(24(34)30(22)40-4)8-16-20(26(18)36)14(32)6-10(2)42-16/h5-8,35-36H,1-4H3",13191-64-5,99586,VSWWTKVILIZDGX-UHFFFAOYSA-N,89970,DTXSID50157250,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.68,571.0865,[M+H]+
AC000705,Rubrofusarin,Rubrafusarin,"5,6-Dihydroxy-8-methoxy-2-methyl-benzo[g]chromen-4-one",CC1=CC(=O)C2=C(O1)C=C3C=C(C=C(C3=C2O)O)OC,272.06846,C15H12O5,"InChI=1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3",3567-00-8,72537,FPNKCZKRICBAKG-UHFFFAOYSA-N,65436,DTXSID90189171,20(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.52,273.0752,[M+H]+
AC000709,Aurantiamide acetate,"Asperglaucide, Lyciumamide",6.N-Benzoylphenylalanylphenylalinol acetate,CC(=O)OC[C@H](CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3,444.20491,C27H28N2O4,"InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25?/m0/s1",56121-42-7,124319,VZPAURMDJZOGHU-SKCDSABHSA-N,8202057,DTXSID00893272,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.75,445.2116,[M+H]+
AC000714,Aurantiamide,N-((1s)-1-(((2s)-1-hydroxy-3-phenyl-propan-2-yl)carbamoyl)-2-phenyl-ethyl)benzamide,,C1=CC=C(C=C1)C[C@@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3,402.19435,C25H26N2O3,"InChI=1S/C25H26N2O3/c28-18-22(16-19-10-4-1-5-11-19)26-25(30)23(17-20-12-6-2-7-13-20)27-24(29)21-14-8-3-9-15-21/h1-15,22-23,28H,16-18H2,(H,26,30)(H,27,29)/t22-,23-/m0/s1",58115-31-4,185904,KSVKECXWDNCRTM-GOTSBHOMSA-N,161599,DTXSID90893261,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.45,403.2011,[M+H]+
AC000719,Gentisyl alcohol,"2-(hydroxymethyl)benzene-1,4-diol",,C1=CC(=C(C=C1O)CO)O,140.04734,C7H8O3,"InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2",495-08-9,188287,PUZSUVGRVHEUQO-UHFFFAOYSA-N,163654,DTXSID60197804,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.35,141.0541,[M+H]+
AC000724,Surfactin C,"3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid",,CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O,1035.68314,C53H93N7O13,"InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1",24730-31-2,443592,NJGWOFRZMQRKHT-WGVNQGGSSA-N,391754,DTXSID20893274,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",5.05,1036.6899,[M+H]+
AC000733,Surfactin B,"3-[(3S,6R,9S,12S,15R,18S,21S,25R)-9-(carboxymethyl)-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid",,CC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O,1021.66749,C52H91N7O13,"InChI=1S/C52H91N7O13/c1-29(2)19-17-15-13-14-16-18-20-35-27-42(60)53-36(21-22-43(61)62)46(65)54-37(23-30(3)4)47(66)56-39(25-32(7)8)50(69)59-45(34(11)12)51(70)57-40(28-44(63)64)49(68)55-38(24-31(5)6)48(67)58-41(26-33(9)10)52(71)72-35/h29-41,45H,13-28H2,1-12H3,(H,53,60)(H,54,65)(H,55,68)(H,56,66)(H,57,70)(H,58,67)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37+,38-,39-,40+,41+,45+/m1/s1",NA,46226665,DDULCZLFAKVKJB-JIXKVBNCSA-N,28533731,DTXSID30893260,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.88,1022.6742,[M+H]+
AC000742,Oxaline,,,CC(C)(C=C)[C@@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)OC)OC,447.19064,C24H25N5O4,"InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1",55623-37-5,70698220,SOHAVULMGIITDH-ZXPSTKSJSA-N,10225680,DTXSID60893990,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.73,448.1974,[M+H]+
AC000747,Fusaperazine E,"(3Z)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methylidene]-6-methylsulfanylpiperazine-2,5-dione",,CC(=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(C(=O)N2C)SC)C)C,360.15076,C19H24N2O3S,"InChI=1S/C19H24N2O3S/c1-13(2)10-11-24-15-8-6-14(7-9-15)12-16-17(22)21(4)19(25-5)18(23)20(16)3/h6-10,12,19H,11H2,1-5H3/b16-12-",NA,101520130,QXYMNBLAEDQYLV-VBKFSLOCSA-N,NA,DTXSID60894028,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.91,361.1575,[M+H]+
AC000752,Verruculogen,TR toxin,"(5R,10S,10aR,14aS,15bS)-10,10a-dihydroxy-6-methoxy-2,2-dimethyl-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione",CC(=C[C@@H]1N2C3=C(C=CC(=C3)OC)C4=C2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)C,511.23184,C27H33N3O7,"InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1",NA,13887805,LRXYHMMJJCTUMY-GWXUGYLUSA-N,10405461,DTXSID30894030,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.77,512.2386,[M+H]+
AC000757,Fusaperazine A,"(3S,6S)-3-[(4-hydroxyphenyl)methyl]-3,6-bis(methylsulfanyl)piperazine-2,5-dione",,CS[C@H]1C(=O)N[C@@](C(=O)N1)(CC2=CC=C(C=C2)O)SC,312.06023,C13H16N2O3S2,"InChI=1S/C13H16N2O3S2/c1-19-11-10(17)15-13(20-2,12(18)14-11)7-8-3-5-9(16)6-4-8/h3-6,11,16H,7H2,1-2H3,(H,14,18)(H,15,17)/t11-,13-/m0/s1",NA,10267534,ALVTZOKFXMRGEB-AAEUAGOBSA-N,8443013,DTXSID60894003,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.82,313.067,[M+H]+
AC000762,Viridicatumtoxin,"(1S,7a'S,11a'R)-5',6',7a',10',11a'-Pentahydroxy-3'-methoxy-2,6,6-trimethyl-7',8',12'-trioxo-7',7a',8',11',11a',12'-hexahydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-9'-carboxamide ",,CC1=CCCC([C@@]12CC3=C4[C@@H]([C@]5(CC(=O)C(=C([C@]5(C(=O)C4=C(C6=C3C2=C(C=C6O)OC)O)O)O)C(=O)N)O)O)(C)C,565.19478,C30H31NO10,"InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32,34-36,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1",39277-41-3,54686377,FNSQKFOXORBCCC-WBWZXODPSA-N,29355821,DTXSID20893991,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.95,564.188,[M-H]-
AC000767,Decarestrictine F,"(1S,3R,8Z,10R)-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-ene-5,7-dione",,C[C@@H]1C[C@H]2[C@H](O2)/C=C\C(=O)CC(=O)O1,196.07355,C10H12O4,"InChI=1S/C10H12O4/c1-6-4-9-8(14-9)3-2-7(11)5-10(12)13-6/h2-3,6,8-9H,4-5H2,1H3/b3-2-/t6-,8-,9+/m1/s1",NA,101635652,MXRJZFNJVFPSQN-NQRYBKARSA-N,7991298,DTXSID20894004,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.48,197.0803,[M+H]+
AC000771,Dehydrohistidyl-tryptophanyl-diketopiperazine,"(e)-3-(1h-imidazol-4-ylmethylene)-6-(1h-indol-3-ylmethyl)-2,5-piperazinedione",,C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3,321.12256,C17H15N5O2,"InChI=1S/C17H15N5O2/c23-16-14(5-10-7-19-13-4-2-1-3-12(10)13)21-17(24)15(22-16)6-11-8-18-9-20-11/h1-4,6-9,14,19H,5H2,(H,18,20)(H,21,24)(H,22,23)/b15-6+",NA,51136281,ITXQTTPWGBFRNK-GIDUJCDVSA-N,29215612,DTXSID00894047,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.17,322.1293,[M+H]+
AC000776,Glandicoline B,"(3E)-2,6,12-Trihydroxy-3-(1H-imidazol-5-ylmethylene)-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-3H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indol-5-one",,CC(C)(C=C)[C@]12C=C(C(=O)N\3[C@@]1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)O)O,419.15934,C22H21N5O4,"InChI=1S/C22H21N5O4/c1-4-20(2,3)21-10-17(28)19(30)26-16(9-13-11-23-12-24-13)18(29)25-22(21,26)27(31)15-8-6-5-7-14(15)21/h4-12,28,31H,1H2,2-3H3,(H,23,24)(H,25,29)/b16-9+/t21-,22-/m1/s1",NA,124079399,YEVSOYBNHBOQJZ-GCTRCSCRSA-N,58837808,DTXSID20894029,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.6,420.1661,[M+H]+
AC000781,Hydroxy-roquefortine C,,,CC(C)(C=C)C12CC3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3C1N(C5=CC=CC=C25)O,405.18008,C22H23N5O3,"InChI=1S/C22H23N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17,20,30H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b15-9+",NA,91820316,NNCYWYKIMLRIRQ-OQLLNIDSSA-N,NA,DTXSID60894048,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.66,406.1868,[M+H]+
AC000786,Neoxaline,"(3E,7aS,12aR)-6-Hydroxy-3-(1H-imidazol-4-ylmethylene)-12-methoxy-7a-(2-methyl-3-buten-2-yl)-6,7,7a,12-tetrahydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione",,CC(C)(C=C)C12CC(C(=O)N\3C1(NC(=O)/C3=C\C4=CN=CN4)N(C5=CC=CC=C25)OC)O,435.19064,C23H25N5O4,"InChI=1S/C23H25N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-10,12-13,18,29H,1,11H2,2-4H3,(H,24,25)(H,26,30)/b17-10+",71812-10-7,6440491,HHLNXXASUKFCCX-LICLKQGHSA-N,10276693,DTXSID80893992,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.68,436.1974,[M+H]+
AC000791,Ochratoxin B,"(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid",,C[C@@H]1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1,369.12122,C20H19NO6,"InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11-,15+/m1/s1",4825-86-9,20966,DAEYIVCTQUFNTM-ABAIWWIYSA-N,19723,DTXSID1075301,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.35,370.128,[M+H]+
AC000796,Ochratoxin B ethyl ester,Ethyl 2-[(8-hydroxy-3-methyl-1-oxo-isochroman-7-carbonyl)amino]-3-phenyl-propanoate,,CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C3=C(CC(OC3=O)C)C=C2)O,397.15253,C22H23NO6,"InChI=1S/C22H23NO6/c1-3-28-21(26)17(12-14-7-5-4-6-8-14)23-20(25)16-10-9-15-11-13(2)29-22(27)18(15)19(16)24/h4-10,13,17,24H,3,11-12H2,1-2H3,(H,23,25)",18420-71-8,609665,XXAVUHHKDMGGBR-UHFFFAOYSA-N,529967,DTXSID40893993,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.2,398.1593,[M+H]+
AC000801,Redoxcitrinin,"2,4-Dihydroxy-3,5-dimethyl-6-[(2S)-3-oxo-2-butanyl]benzaldehyde",,Cc1c(c(c(c(c1O)C)O)C=O)[C@H](C)C(=O)C,236.10486,C13H16O4,"InChI=1S/C13H16O4/c1-6(9(4)15)11-7(2)12(16)8(3)13(17)10(11)5-14/h5-6,16-17H,1-4H3/t6-/m1/s1",NA,NA,CBUOBMSAFIYYEJ-ZCFIWIBFSA-N,27023177,DTXSID90894031,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.31,235.0981,[M-H]-
AC000806,Roquefortine D,"(3S,5aS,10bR,11aS)-3-(1H-Imidazol-5-ylmethyl)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione",,CC(C)(C=C)C12CC3C(=O)NC(C(=O)N3C1NC4=CC=CC=C24)CC5=CN=CN5,391.20082,C22H25N5O2,"InChI=1S/C22H25N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-8,11-12,16-17,20,26H,1,9-10H2,2-3H3,(H,23,24)(H,25,28)",NA,15386782,IQVNREJWRXOHEO-UHFFFAOYSA-N,151551,DTXSID40894026,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.59,392.2076,[M+H]+
AC000811,Roquefortine H,"(3E,5aS,10bR,11aS)-5a-Methyl-10b-(2-methyl-3-buten-2-yl)-3-{[1-(2-methyl-4-oxo-2-pentanyl)-1H-imidazol-4-yl]methylene}-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-di one",,CC(=O)CC(C)(C)N1C=C(N=C1)/C=C\2/C(=O)N3[C@H](C[C@@]4([C@H]3NC5=CC=CC=C54)C(C)(C)C=C)C(=O)N2,487.25834,C28H33N5O3,"InChI=1S/C28H33N5O3/c1-7-26(3,4)28-14-22-23(35)30-21(12-18-15-32(16-29-18)27(5,6)13-17(2)34)24(36)33(22)25(28)31-20-11-9-8-10-19(20)28/h7-12,15-16,22,25,31H,1,13-14H2,2-6H3,(H,30,35)/b21-12-/t22-,25+,28-/m1/s1",NA,102041046,IOMOQUZQAXSJJI-MOLGQSPVSA-N,27024819,DTXSID40894041,30(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.45,488.2651,[M+H]+
AC000814,Roquefortine L,"(3E,10bR,11aS)-3-(1H-Imidazol-5-ylmethylene)-10b-(2-methyl-3-buten-2-yl)-11,11a-dihydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,10bH)-dione 6-oxide",,CC(C)(C=C)C12CC3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3C1=[N+](C5=CC=CC=C25)[O-],403.16443,C22H21N5O3,"InChI=1S/C22H21N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b15-9+",NA,91820590,JKXUAFUJOVITSU-OQLLNIDSSA-N,58828713,DTXSID00894027,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.5,404.1712,[M+H]+
AC000819,Andrastin D,"methyl (5S,8S,9S,10R,13R,14R)-17-hydroxy-4,4,8,10,12,13,16-heptamethyl-3,15-dioxo-1,2,5,6,7,9-hexahydrocyclopenta[a]phenanthrene-14-carboxylate",,CC1=C[C@H]2[C@@]3(CCC(=O)C([C@H]3CC[C@@]2([C@]4([C@@]1(C(=C(C4=O)C)O)C)C(=O)OC)C)(C)C)C,428.25629,C26H36O5,"InChI=1S/C26H36O5/c1-14-13-17-23(5)11-10-18(27)22(3,4)16(23)9-12-24(17,6)26(21(30)31-8)20(29)15(2)19(28)25(14,26)7/h13,16-17,28H,9-12H2,1-8H3/t16-,17+,23-,24+,25+,26-/m1/s1",NA,10477690,SMUNNMAWNRFDPB-UWWAQUNASA-N,8653099,DTXSID80894025,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.95,429.263,[M+H]+
AC000827,Austin,,,C[C@H]1[C@@]2(C(=O)O[C@]3([C@@H](C4=C([C@]5(CC[C@]4([C@@]2(C3=C)C(=O)O1)C)C=CC(=O)OC5(C)C)C)OC(=O)C)C)O,500.20462,C27H32O9,"InChI=1S/C27H32O9/c1-13-18-19(34-16(4)28)24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3/t15-,19+,23+,24+,25+,26+,27-/m0/s1",61103-89-7,38353601,DEMDOYQPCDXCEB-WLEVADLXSA-N,52083136,DTXSID00893994,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.5,501.2114,[M+H]+
AC000832,Fiscalin C,"(1S,4R)-4-[[(3aR,4R)-4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione",,CC(C)[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)C[C@@]4([C@@H]5NC(C(=O)N5C6=CC=CC=C64)(C)C)O,487.22194,C27H29N5O4,"InChI=1S/C27H29N5O4/c1-14(2)20-21-28-17-11-7-5-9-15(17)23(34)31(21)19(22(33)29-20)13-27(36)16-10-6-8-12-18(16)32-24(27)30-26(3,4)25(32)35/h5-12,14,19-20,24,30,36H,13H2,1-4H3,(H,29,33)/t19-,20+,24-,27-/m1/s1",NA,101651022,VHQZIMAMLQIPDR-KLGADWMXSA-N,NA,DTXSID00894002,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.46,488.2287,[M+H]+
AC000837,Trichodermamide A,"(4aS,5R,8R,8aS)-N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide",,COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C3=NO[C@H]4[C@@H](C=C[C@H]([C@]4(C3)O)O)O)OC,432.11685,C20H20N2O9,"InChI=1S/C20H20N2O9/c1-28-13-5-3-9-7-10(19(26)30-15(9)16(13)29-2)21-18(25)11-8-20(27)14(24)6-4-12(23)17(20)31-22-11/h3-7,12,14,17,23-24,27H,8H2,1-2H3,(H,21,25)/t12-,14-,17+,20+/m1/s1",NA,10982906,ZQOKLOPATOTAEE-OVCSSCHWSA-N,9158107,DTXSID40894001,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.8,433.1236,[M+H]+
AC000842,Ctrinin hydrate,"(1S,3R,4S)-1,6,8-trihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid",,C[C@@H]1[C@H](O[C@@H](C2=C1C(=C(C(=C2O)C(=O)O)O)C)O)C,268.09468,C13H16O6,"InChI=1S/C13H16O6/c1-4-6(3)19-13(18)8-7(4)5(2)10(14)9(11(8)15)12(16)17/h4,6,13-15,18H,1-3H3,(H,16,17)/t4-,6-,13+/m1/s1",157643-56-6,190886,MBTAFMZUDOUGPS-CGKQSRJASA-N,165782,DTXSID80166299,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.43,267.0879,[M-H]-
AC000847,Viridicatol,3-hydroxy-4-(3-hydroxyphenyl)-1H-quinolin-2-one,,C1=CC=C2C(=C1)C(=C(C(=O)N2)O)C3=CC(=CC=C3)O,253.07389,C15H11NO3,"InChI=1S/C15H11NO3/c17-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)16-15(19)14(13)18/h1-8,17-18H,(H,16,19)",14484-44-7,115033,QIJIOTTYIGBOQA-UHFFFAOYSA-N,102955,DTXSID60893995,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.98,254.0806,[M+H]+
AC000852,Pyrophen,N-[(1S)-1-(4-methoxy-6-oxopyran-2-yl)-2-phenylethyl]acetamide,,CC(=O)N[C@@H](CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC,287.11575,C16H17NO4,"InChI=1S/C16H17NO4/c1-11(18)17-14(8-12-6-4-3-5-7-12)15-9-13(20-2)10-16(19)21-15/h3-7,9-10,14H,8H2,1-2H3,(H,17,18)/t14-/m0/s1",131190-56-2,131349,VFMQMACUYWGDOJ-AWEZNQCLSA-N,116112,DTXSID50156940,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.94,288.1225,[M+H]+
AC000857,Mevastatin,"Compactin, Mevastatinum, Mevastatina","[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate",CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O,390.24063,C23H34O5,"InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1",73573-88-3,64715,AJLFOPYRIVGYMJ-INTXDZFKSA-N,58262,DTXSID4040684,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.73,391.2474,[M+H]+
AC000862,Tryprostatin B,"(3S,8aS)-3-[[2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione",,CC(=CCC1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3)C,351.19468,C21H25N3O2,"InChI=1S/C21H25N3O2/c1-13(2)9-10-17-15(14-6-3-4-7-16(14)22-17)12-18-21(26)24-11-5-8-19(24)20(25)23-18/h3-4,6-7,9,18-19,22H,5,8,10-12H2,1-2H3,(H,23,25)/t18-,19-/m0/s1",179936-52-8,9863281,GLWYBXPXOSKQAW-OALUTQOASA-N,NA,DTXSID40893998,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.39,352.2014,[M+H]+
AC000867,Cyclopenin,"4-methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione",,CN1C(=O)C2=CC=CC=C2NC(=O)C13[C@H](O3)C4=CC=CC=C4,294.10043,C17H14N2O3,"InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)/t14-,17?/m1/s1",20007-87-8,271117,APLKWZASYUZSBL-XPCCGILXSA-N,66209,DTXSID00893999,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.06,295.1072,[M+H]+
AC000872,Malformin A2,cyclo[D-Cys(1)-D-Cys(1)-Val-D-Leu-Val],"(1S,4S,7R,10S,13S)-7-(2-methylpropyl)-4,10-di(propan-2-yl)-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone",CC(C)C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H]2CSSC[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)NC2=O)C(C)C,515.2236,C22H37N5O5S2,"InChI=1S/C22H37N5O5S2/c1-10(2)7-13-18(28)26-17(12(5)6)22(32)25-14-8-33-34-9-15(24-19(14)29)20(30)27-16(11(3)4)21(31)23-13/h10-17H,7-9H2,1-6H3,(H,23,31)(H,24,29)(H,25,32)(H,26,28)(H,27,30)/t13-,14-,15-,16+,17+/m1/s1",NA,14759319,KRQRRZFXHYYNSO-MTSZKFMLSA-N,NA,DTXSID80894005,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.26,516.2303,[M+H]+
AC000882,Deoxynivalenol 3-glucuronide,,,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)CO,472.15805,C21H28O12,"InChI=1S/C21H28O12/c1-7-3-9-20(5-22,15(27)10(7)23)19(2)4-8(16(32-9)21(19)6-30-21)31-18-13(26)11(24)12(25)14(33-18)17(28)29/h3,8-9,11-16,18,22,24-27H,4-6H2,1-2H3,(H,28,29)/t8-,9-,11+,12+,13-,14+,15-,16-,18-,19-,20-,21+/m1/s1",NA,102202100,GRFAWUZMBBQEMX-IJNZYEPRSA-N,NA,DTXSID90891843,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.22,471.1513,[M-H]-
AC000888,Fusaric acid,"Fusarinic acid, 2.5-Butylpicolinic acid, Piconlinic acid",5-Butylpyridine-2-carboxylic acid,CCCCC1=CN=C(C=C1)C(=O)O,179.09463,C10H13NO2,"InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)",536-69-6,3442,DGMPVYSXXIOGJY-UHFFFAOYSA-N,3324,DTXSID5023085,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.53,180.1014,[M+H]+
AC000893,Andrastin C,"(3S,5S,8S,9S,10R,13R,14R)-3-acetyloxy-17-hydroxy-4,4,8,10,12,13,16-heptamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid",,CC1=C[C@H]2[C@@]3(CC[C@@H](C([C@H]3CC[C@@]2([C@]4([C@@]1(C(=C(C4=O)C)O)C)C(=O)O)C)(C)C)OC(=O)C)C,458.26685,C27H38O6,"InChI=1S/C27H38O6/c1-14-13-18-24(6)11-10-19(33-16(3)28)23(4,5)17(24)9-12-25(18,7)27(22(31)32)21(30)15(2)20(29)26(14,27)8/h13,17-19,29H,9-12H2,1-8H3,(H,31,32)/t17-,18+,19+,24-,25+,26+,27-/m1/s1",NA,44282265,LBBHTACWNVOYKN-SNQWNFAUSA-N,8157850,DTXSID20894024,20(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.32,457.2601,[M-H]-
AC000897,Trichodermamide C,,,CN(C1=CC2=C(C(=C(C=C2)OC)OC)OC1=O)C(=O)C3=NO[C@H]4[C@@H](C=C[C@H]([C@]4(C3)O)O)O,446.1325,C21H22N2O9,"InChI=1S/C21H22N2O9/c1-23(12-8-10-4-6-14(29-2)17(30-3)16(10)31-20(12)27)19(26)11-9-21(28)15(25)7-5-13(24)18(21)32-22-11/h4-8,13,15,18,24-25,28H,9H2,1-3H3/t13-,15-,18+,21+/m1/s1",NA,25067253,PCMUPOUDXMFDRE-NYGSYELISA-N,23316458,DTXSID50894032,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.6,447.1392,[M+H]+
AC000907,Fumiquinazoline F,,,C[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)CC4=CNC5=CC=CC=C54,358.14297,C21H18N4O2,"InChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18+/m0/s1",NA,10089772,SUVZUTHVKIBYOH-KPZWWZAWSA-N,8179095,DTXSID30891847,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.23,359.1497,[M+H]+
AC000916,Atranone B,,,C/C1=C2[C@H]3[C@H]([C@@](C)(O)O[C@H]3/C(C)=C\C[C@H]4C(C(C)C)=C(OC)C(O[C@]4(C)CC1)=O)C(O/2)=O,446.23045,C25H34O7,"InChI=1S/C25H34O7/c1-12(2)16-15-9-8-13(3)20-17-18(25(6,28)31-20)22(26)30-19(17)14(4)10-11-24(15,5)32-23(27)21(16)29-7/h8,12,15,17-18,20,28H,9-11H2,1-7H3/b13-8-,19-14+/t15-,17+,18-,20-,24+,25-/m0/s1",227597-62-8,NA,BDGOANHBKYFDGC-KTGRICDKSA-N,NA,DTXSID80894000,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",4.05,447.2372,[M+H]+
AC000921," 4',5-bisdeoxy-dothistromin",,,OC1=C(C(C2=C(O)C=CC=C2C3=O)=O)C3=CC(O4)=C1[C@@]5(O)[C@@H]4OCC5,340.05828,C18H12O7,"InChI=1S/C18H12O7/c19-9-3-1-2-7-11(9)15(21)12-8(14(7)20)6-10-13(16(12)22)18(23)4-5-24-17(18)25-10/h1-3,6,17,19,22-23H,4-5H2/t17-,18-/m1/s1",NA,NA,MFMARNFPIVNIHS-QZTJIDSGSA-N,NA,DTXSID20894049,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.37,341.065,[M+H]+
AC000926,Roquefortine M,,,CC(C=C)(C1(C(N(O)C2=CC=CC=C12)=O)CC3C(N/C(C(N3)=O)=C/C4=CN=CN4)=O)C,421.17499,C22H23N5O4,"InChI=1S/C22H23N5O4/c1-4-21(2,3)22(14-7-5-6-8-17(14)27(31)20(22)30)10-16-19(29)25-15(18(28)26-16)9-13-11-23-12-24-13/h4-9,11-12,16,31H,1,10H2,2-3H3,(H,23,24)(H,25,29)(H,26,28)/b15-9+",NA,NA,GIYROBMIPLLHQE-OQLLNIDSSA-N,NA,DTXSID00894042,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",2.5,422.1817,[M+H]+
AC000931,Fumonisin La4,,,CCCC[C@H]([C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)C[C@H](CCCCCCCC[C@H](O)C(O)C)C)C,690.38265,C34H58O14,"InChI=1S/C34H58O14/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,35-36H,5-20H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23?,24+,25+,26-,27-,32+/m0/s1",NA,NA,ROPHOAFGZRNKDO-SNXTYUPGSA-N,NA,DTXSID60894043,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.64,689.3759,[M-H]-
AC000936,Fumonisin Py2,,,CCCC[C@H]([C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)C[C@H](CCCCCC[C@@H](O)C[C@H](O)C(C)=O)C)C,704.36191,C34H56O15,"InChI=1S/C34H56O15/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-21,23-27,32,36-37H,5-19H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,23+,24+,25+,26-,27-,32+/m0/s1",NA,NA,GZCJIEXTWGJVIN-MKHOGIGVSA-N,NA,DTXSID20894044,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.44,703.3552,[M-H]-
AC000941,Fumonisin Py4,,,CCCC[C@H]([C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)C[C@H](CCCCCCCC[C@H](O)C(C)=O)C)C,688.367,C34H56O14,"InChI=1S/C34H56O14/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-22,24-27,32,36H,5-20H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,24+,25+,26-,27-,32+/m0/s1",NA,NA,PUZDIGQDECBVJT-FLTFDZFMSA-N,NA,DTXSID80894045,20(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.78,687.3603,[M-H]-
AC000946,Cyclo(VVFF),,,O=C(NC(C(C)C)C(NC(CC1=CC=CC=C1)C(NC2CC3=CC=CC=C3)=O)=O)C(C(C)C)NC2=O,492.27366,C28H36N4O4,"InChI=1S/C28H36N4O4/c1-17(2)23-27(35)30-21(15-19-11-7-5-8-12-19)25(33)29-22(16-20-13-9-6-10-14-20)26(34)31-24(18(3)4)28(36)32-23/h5-14,17-18,21-24H,15-16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)",NA,NA,OWKLJRMFTXDULF-UHFFFAOYSA-N,NA,DTXSID30894050,10(NCE),HCD,"Agilent RRHD Eclipse 50 x 2 mm, 1.8 uM",3.8,493.2804,[M+H]+