ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001625
RECORD_TITLE: 1-NITROANTHRAQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 1-NITROANTHRAQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H7NO4
CH$EXACT_MASS: 253.03751
CH$SMILES: [O-1][N+1](=O)c(c3)c(c(=O)1)c(cc3)c(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C14H7NO4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H
CH$LINK: INCHIKEY YCANAXVBJKNANM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3052569
AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0zgi-5950000000-211963c93322a9c6bae9
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  41 1.58 16
  43 2.19 22
  49 1.28 13
  50 23.84 238
  51 5.14 51
  53 2.19 22
  55 1.28 13
  57 1.21 12
  61 1.21 12
  62 3.86 39
  63 13.32 133
  69 3.1 31
  73 2.72 27
  74 12.03 120
  75 23.69 237
  76 43.83 438
  77 7.26 73
  81 1.13 11
  86 1.96 20
  87 2.42 24
  90 7.04 70
  98 2.8 28
  99 2.95 30
  100 1.21 12
  101 1.28 13
  102 1.51 15
  104 1.81 18
  125 3.7 37
  126 5.6 56
  139 4.92 49
  149 2.42 24
  150 24.6 246
  151 49.65 497
  152 45.95 460
  167 3.02 30
  179 12.11 121
  180 88.11 881
  181 13.39 134
  182 1.05 11
  195 6.05 61
  196 1.05 11
  206 2.57 26
  207 24.9 249
  208 99.99 999
  209 15.21 152
  210 1.43 14
  236 1.28 13
  244 4.46 45
  253 18.39 184
  254 2.8 28
//
