ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002194
RECORD_TITLE: 4-METHYLBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYLBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: COC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
CH$LINK: INCHIKEY QSSJZLPUHJDYKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4025668

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-014i-5900000000-9a63e568df5efb37c37f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  44 1.6 16
  45 2.2 22
  50 0.9 9
  51 0.29 3
  53 1.6 16
  59 4.5 45
  61 1.3 13
  62 0.09 1
  63 4.5 45
  65 15.7 157
  74 2.2 22
  89 0.39 4
  90 3.6 36
  91 41.6 416
  92 2.2 22
  106 0.16 2
  107 0.6 6
  110 0.9 9
  118 0.9 9
  119 99.99 999
  120 8.8 88
  133 1.3 13
  135 0.9 9
  149 0.13 1
  150 30.1 301
  151 2.6 26
  152 0.6 6
//