ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008414
RECORD_TITLE: PARA-HYDROXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-HYDROXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₃
CH$EXACT_MASS: 138.03169
CH$SMILES: Oc(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026647

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-00di-9700000000-a9bb4b71d8b23a56ca67
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 5.3 53
  29 13.3 133
  39 12.69 127
  41 21.81 218
  42 6.02 60
  43 10.08 101
  53 1.66 17
  55 23.31 233
  56 15.08 151
  57 16.26 163
  63 0.9 9
  64 1.35 14
  65 16.82 168
  69 7.96 80
  70 74.66 747
  71 11.02 110
  82 4.39 44
  83 23.22 232
  84 13.89 139
  92 1.7 17
  93 17.37 174
  94 1.1 11
  95 2.38 24
  97 0.98 10
  112 47.73 477
  113 4.65 47
  120 0.89 9
  121 99.99 999
  122 8.86 89
  123 0.42 4
  138 47.96 480
  139 25.66 257
  140 2 20
  151 0.35 4
  250 0.73 7
//