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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010378

ORTHO-TOLYLACETIC ACID; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010378
RECORD_TITLE: ORTHO-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$NAME: ORTHO-TOLYLACETIC ACID
CH$NAME: ORTHO-METHYLPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: OC(=O)Cc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
CH$LINK: INCHIKEY RZWGTXHSYZGXKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50214650

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$SPLASH: splash10-0a4i-1900000000-8c5a859cece90bea65d0
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  41 1.1 11
  43 3.5 35
  45 1.4 14
  55 0.15 2
  56 1.5 15
  57 2.5 25
  58 1.5 15
  60 0.16 2
  69 1.4 14
  70 1 10
  71 1.5 15
  77 0.49 5
  78 1.4 14
  79 7.7 77
  85 1 10
  91 1.46 15
  92 1.1 11
  103 3.7 37
  104 4 40
  105 99.99 999
  106 11.2 112
  132 2.1 21
  149 2.4 24
  150 4.9 49
  151 5.5 55
//

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