ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009572
RECORD_TITLE: 2-HYDROXY-3-METHYLBENZOIC ACID; 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$NAME: 2-HYDROXY-3-METHYLBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: OC(=O)c(c1)c(O)c(C)cc1
CH$IUPAC: InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
CH$LINK: INCHIKEY WHSXTWFYRGOBGO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9038686
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$SPLASH: splash10-0pe9-5900000000-cf8848c42302842dd0c8
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  26 1.05 11
  27 6.09 61
  28 22.55 226
  29 1.77 18
  31 1.2 12
  32 6.14 61
  37 1.53 15
  38 3.95 40
  39 13.62 136
  40 1.07 11
  41 2.37 24
  43 1.28 13
  45 2.12 21
  50 7.68 77
  51 20.34 203
  52 11.71 117
  53 9.77 98
  55 1.97 20
  57 1.1 11
  61 1.13 11
  62 2.39 24
  63 5.35 54
  64 1.08 11
  65 1.67 17
  66 2.31 23
  67 5.3 53
  69 1.94 19
  73 1.2 12
  74 2.4 24
  75 1.83 18
  76 4.62 46
  77 28.38 284
  78 35.03 350
  79 5.63 56
  81 1.69 17
  89 1.02 10
  105 35.67 357
  106 99.99 999
  107 12.09 121
  108 1.39 14
  133 6.13 61
  134 94.75 948
  135 14.75 148
  136 1.56 16
  152 66.9 669
  153 7.59 76
//
