ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009424
RECORD_TITLE: ANTHRAQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
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$LINK: INCHIKEY RZVHIXYEVGDQDX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020095

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0pc0-4950000000-5e8e781063ee0647c5ba
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 2.32 23
  28 1.62 16
  38 1.66 17
  39 5.5 55
  50 16.62 166
  51 4.82 48
  53 1.33 13
  62 1.82 18
  63 5.82 58
  74 8.96 90
  75 10.99 110
  76 22.62 226
  77 5.52 55
  86 1.72 17
  87 3.28 33
  90 1.53 15
  98 2.06 21
  99 2.14 21
  100 1.32 13
  101 1.18 12
  102 2.92 29
  104 1.57 16
  113 1.2 12
  125 2.03 20
  126 9.34 93
  127 1.06 11
  150 12.24 122
  151 21.41 214
  152 64.16 642
  153 8.49 85
  178 1.77 18
  179 3.29 33
  180 76.12 761
  181 10.95 110
  207 11.04 110
  208 99.99 999
  209 20.92 209
  210 2.46 25
//