ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000045
RECORD_TITLE: PARA 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$NAME: PARA TOLUIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: Cc(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
CH$LINK: INCHIKEY LPNBBFKOUUSUDB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7470
CH$LINK: COMPTOX DTXSID6021618

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$SPLASH: splash10-00ko-9400000000-cfbfdc2f148970f31c8e
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 2.07 21
  38 1.94 19
  39 13.83 138
  41 4.63 46
  43 2.9 29
  44 1.11 11
  45 2.07 21
  50 4.29 43
  51 6.09 61
  62 3.6 36
  63 9.75 98
  64 2.01 20
  65 24.14 241
  77 4.29 43
  89 6.78 68
  90 4.77 48
  91 99.99 999
  92 15.77 158
  119 44.4 444
  120 3.39 34
  136 50 500
  137 4.01 40
//