ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010379
RECORD_TITLE: META-TOLYLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: META-TOLYLACETIC ACID
CH$NAME: META-METHYLPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: OC(=O)Cc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
CH$LINK: INCHIKEY GJMPSRSMBJLKKB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30211147

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-3900000000-6b850d428cd107b5a318
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  41 1.9 19
  42 1.5 15
  43 7.7 77
  44 0.16 2
  45 2 20
  55 3.7 37
  56 3.3 33
  57 0.48 5
  58 4 40
  59 1.6 16
  60 3.8 38
  69 0.27 3
  70 2.7 27
  71 3.2 32
  73 1.6 16
  77 0.51 5
  78 1.6 16
  79 7 70
  83 1.6 16
  85 0.17 2
  91 16.6 166
  92 1.3 13
  103 3.5 35
  104 0.4 4
  105 99.99 999
  106 15.6 156
  107 1.6 16
  149 0.21 2
  150 52 520
  151 6.4 64
//