ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009517
RECORD_TITLE: 9-ANTHRACENECARBOXYLIC 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$NAME: 9-ANTHRACENECARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₀O₂
CH$EXACT_MASS: 222.06808
CH$SMILES: OC(=O)c(c21)c(c3)c(ccc3)cc(cccc2)1
CH$IUPAC: InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
CH$LINK: CAS 723-62-6
CH$LINK: INCHIKEY XGWFJBFNAQHLEF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7049427

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$SPLASH: splash10-00fr-4970000000-225ec51dd6d930f15989
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  18 3.59 36
  28 2.34 23
  38 1.06 11
  39 3.23 32
  45 4.64 46
  50 3.74 37
  51 3.51 35
  62 4.21 42
  63 6.16 62
  69 1.02 10
  74 6.42 64
  75 7.51 75
  76 3.15 32
  77 1.76 18
  81 1.33 13
  82 4.15 42
  83 1.87 19
  86 3.92 39
  87 6.52 65
  88 12.61 126
  89 1.94 19
  97 3.74 37
  98 4.74 47
  99 3.46 35
  100 1.39 14
  101 1.01 10
  110 1.88 19
  113 5.07 51
  115 1.29 13
  122 1.55 16
  123 1.73 17
  125 1.2 12
  126 3.32 33
  127 1.19 12
  137 1.21 12
  139 3.61 36
  149 2.43 24
  150 11.99 120
  151 13.42 134
  152 3.1 31
  163 4.61 46
  164 3.65 37
  165 24.77 248
  166 6.34 63
  174 6.23 62
  175 7.66 77
  176 40.87 409
  177 39.93 399
  178 9.48 95
  179 1.23 12
  193 1.68 17
  194 10.38 104
  195 1.6 16
  204 1 10
  205 29.19 292
  206 4.8 48
  221 29.8 298
  222 99.99 999
  223 16.42 164
  224 1.72 17
//