ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009959
RECORD_TITLE: 1-BUTYL-5-HYDROXY-3-METHOXYCARBONYL-2,4,6,7-TETRAMETHYLINDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 1-BUTYL-5-HYDROXY-3-METHOXYCARBONYL-2,4,6,7-TETRAMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H25NO3
CH$EXACT_MASS: 303.18344
CH$SMILES: CCCCn(c(C)1)c(c(C)2)c(c(C)c(O)c(C)2)c(C(=O)OC)1
CH$IUPAC: InChI=1S/C18H25NO3/c1-7-8-9-19-13(5)15(18(21)22-6)14-12(4)17(20)11(3)10(2)16(14)19/h20H,7-9H2,1-6H3
CH$LINK: INCHIKEY HGABABVBQJLOLJ-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-1198000000-ae411bf8bc6581641f43
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  28 0.9 9
  29 9.7 97
  41 7.7 77
  43 0.49 5
  140 6.1 61
  151 6 60
  158 4.4 44
  200 0.56 6
  202 8.2 82
  214 8.5 85
  215 9.2 92
  216 0.71 7
  222 3.4 34
  228 32.6 326
  229 6.3 63
  243 0.77 8
  246 4.5 45
  260 20.3 203
  261 4.4 44
  271 0.88 9
  272 19.7 197
  288 4.4 44
  289 4.9 49
  302 0.86 9
  303 99.99 999
  304 22.9 229
//
