ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010524
RECORD_TITLE: ANTHRAQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: ANTHRAQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₈O₂
CH$EXACT_MASS: 208.05243
CH$SMILES: O=c(c21)c(c3)c(ccc3)c(=O)c(cccc2)1
CH$IUPAC: InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
CH$LINK: CAS 84-65-1
CH$LINK: INCHIKEY RZVHIXYEVGDQDX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020095

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0zgi-5930000000-2793068dd8a1a8873de2
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  18 1.47 15
  27 2.38 24
  28 1.91 19
  38 2.11 21
  39 5.59 56
  49 1.03 10
  50 26.67 267
  51 7.45 75
  52 1.13 11
  53 1.74 17
  61 1.15 12
  62 3.81 38
  63 10.6 106
  73 1.9 19
  74 18.8 188
  75 20.93 209
  76 44.08 441
  77 9.51 95
  78 1.3 13
  85 1.03 10
  86 3.65 37
  87 5.5 55
  88 1.49 15
  89 1.74 17
  90 4.74 47
  98 4.55 46
  99 4.52 45
  100 2.18 22
  101 2.31 23
  102 4.19 42
  104 2.93 29
  110 1.36 14
  111 1.72 17
  113 2.14 21
  122 1.31 13
  125 4.48 45
  126 14.05 141
  127 1.95 20
  149 2.33 23
  150 21.87 219
  151 42.44 424
  152 87.54 875
  153 11.88 119
  176 2 20
  178 12.21 122
  179 5.89 59
  180 99.99 999
  181 14.37 144
  182 1.17 12
  207 13.72 137
  208 94.16 942
  209 14.76 148
  210 1.51 15
//