ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009583
RECORD_TITLE: ANTHRAQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-0pc0-2940000000-9210be3af7f81873a30b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  28 1.62 16
  32 1.2 12
  50 9.4 94
  51 2.26 23
  63 4.98 50
  74 6.86 69
  75 11.96 120
  76 24.49 245
  77 5.9 59
  89 1.5 15
  90 2.76 28
  105 1.86 19
  126 8.44 84
  149 7.31 73
  150 14.51 145
  151 29.61 296
  152 67.65 677
  153 8.46 85
  176 1.69 17
  178 21.07 211
  179 5.16 52
  180 98.25 983
  181 12.36 124
  207 14.59 146
  208 99.99 999
  209 18.36 184
//