ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010525
RECORD_TITLE: ANTHRAFRAVIC ACID; 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$NAME: ANTHRAFRAVIC ACID
CH$NAME: 2,6-DIHYDROXYANTHRAQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₈O₄
CH$EXACT_MASS: 240.04226
CH$SMILES: Oc(c3)cc(c(=O)1)c(c3)c(=O)c(c2)c(ccc(O)2)1
CH$IUPAC: InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
CH$LINK: INCHIKEY APAJFZPFBHMFQR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6036546

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 30 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0536-1960000000-174897766d8d56ad2830
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  18 1.34 13
  28 1.76 18
  63 2.97 30
  65 2.53 25
  75 2.24 22
  76 1.88 19
  77 10.44 104
  78 2.55 26
  89 2.4 24
  92 7.18 72
  93 1.69 17
  101 7.46 75
  102 11.4 114
  103 1.88 19
  105 1.06 11
  106 1.59 16
  113 1.93 19
  114 1.15 12
  115 1.89 19
  120 2.48 25
  121 1.16 12
  125 1.1 11
  126 12.71 127
  128 43.06 431
  129 6.97 70
  130 2.81 28
  131 1.37 14
  137 1.57 16
  138 3.44 34
  139 17.97 180
  140 3.53 35
  154 2.19 22
  155 58.56 586
  156 10.83 108
  166 1.08 11
  167 4.24 42
  168 5.11 51
  183 14.44 144
  184 52.55 526
  185 7.58 76
  195 5.06 51
  196 5.2 52
  211 11.16 112
  212 49.17 492
  213 7.17 72
  223 13.02 130
  224 8.6 86
  225 1.11 11
  239 8.26 83
  240 99.99 999
  241 15.27 153
  242 2.28 23
//