ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010315
RECORD_TITLE: PARA-HYDROXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-00dr-4900000000-97bfa38b0d6bc152d470
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 1.72 17
  29 2.5 25
  37 1.62 16
  38 3.45 35
  39 13.63 136
  45 4.38 44
  50 1.64 16
  51 1.09 11
  53 3.05 31
  55 1.71 17
  61 1.18 12
  62 2.74 27
  63 8.5 85
  64 2.54 25
  65 17.02 170
  66 1.9 19
  81 1.68 17
  92 1.58 16
  93 7 70
  95 1.24 12
  105 1.52 15
  110 1.57 16
  121 99.99 999
  122 10.34 103
  138 38.57 386
  139 24.66 247
  140 2.05 21
//