ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000044
RECORD_TITLE: META TOLUIC 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$NAME: META TOLUIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: Cc(c1)cc(cc1)C(O)=O
CH$IUPAC: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
CH$LINK: COMPTOX DTXSID1021617
CH$LINK: INCHIKEY GPSDUZXPYCFOSQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7418

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9300000000-19cda220bb49ced38298
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 1.99 20
  38 1.81 18
  39 14.04 140
  41 4.16 42
  43 2.72 27
  45 1.81 18
  50 3.62 36
  51 5.43 54
  62 2.99 30
  63 8.61 86
  65 20.38 204
  77 4.53 45
  79 1.81 18
  89 6.34 63
  90 5.89 59
  91 99.99 999
  92 16.76 168
  118 1.02 10
  119 27.9 279
  120 1.81 18
  135 2.08 21
  136 43.57 436
  137 3.44 34
//