ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010533
RECORD_TITLE: ANTHRAFLAVIC 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$NAME: ANTHRAFLAVIC ACID
CH$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: CAS 84-60-6
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-9410000000-c197fe59d166513e1247
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  14 2.99 30
  15 1.45 15
  16 2.95 30
  26 3.68 37
  27 14.75 148
  28 1.49 15
  29 31.44 314
  32 1.03 10
  37 5.11 51
  38 14.45 145
  39 20.89 209
  40 1.62 16
  41 1.97 20
  42 6.06 61
  43 3.55 36
  45 2.92 29
  49 1.33 13
  50 14.84 148
  51 12.18 122
  52 3.33 33
  53 22.01 220
  54 2.5 25
  55 5 50
  61 9.75 98
  62 44.54 445
  63 99.99 999
  64 30.06 301
  65 9.14 91
  66 8.15 82
  67 1.95 20
  69 1.99 20
  73 2.61 26
  74 21.45 215
  75 18.43 184
  76 7.65 77
  77 13.25 133
  78 2.62 26
  79 2.2 22
  85 1.95 20
  86 5.54 55
  87 11.01 110
  88 2.86 29
  89 5.82 58
  90 4.6 46
  91 8.59 86
  92 43.34 433
  93 6.2 62
  98 5.53 55
  99 4.7 47
  100 3.16 32
  101 10.5 105
  102 9.3 93
  103 1.88 19
  104 1.1 11
  105 1.96 20
  106 1.27 13
  110 1.77 18
  111 3.25 33
  113 3.55 36
  114 1.5 15
  115 1.24 12
  118 1.29 13
  119 3.28 33
  120 8.98 90
  121 2.76 28
  122 1.14 11
  125 2.09 21
  126 15.83 158
  127 23.64 236
  128 30.57 306
  129 3.42 34
  130 2.53 25
  137 2.33 23
  138 2.26 23
  139 11.33 113
  140 1.98 20
  142 1.23 12
  145 2.34 23
  154 1.99 20
  155 36.78 368
  156 6.62 66
  167 1.9 19
  168 2.38 24
  183 6.81 68
  184 29.87 299
  185 3.13 31
  195 2.46 25
  196 2.96 30
  211 5.82 58
  212 23.36 234
  213 3.56 36
  223 6.23 62
  224 3.97 40
  239 4.9 49
  240 43.72 437
  241 8.24 82
  242 1.23 12
//