ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002200
RECORD_TITLE: 2-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$NAME: 2-METHYLBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: COC(=O)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-6H,1-2H3
CH$LINK: INCHIKEY WVWZECQNFWFVFW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6048208

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$SPLASH: splash10-014i-6900000000-8aa8201a6c48c2865c69
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  45 5.5 55
  50 3.1 31
  51 9.4 94
  53 0.39 4
  59 8.6 86
  60 1.5 15
  62 3.9 39
  63 0.78 8
  64 2.3 23
  65 29.9 299
  66 3.1 31
  68 0.07 1
  69 1.5 15
  73 0.7 7
  74 3.9 39
  76 0.07 1
  77 11.8 118
  78 0.7 7
  79 3.9 39
  80 0.15 2
  86 0.7 7
  87 2.3 23
  89 10.2 102
  90 2.51 25
  91 88.9 889
  92 1.5 15
  97 0.7 7
  105 0.78 8
  106 3.1 31
  107 3.1 31
  110 0.7 7
  112 0.07 1
  115 0.7 7
  118 75.5 755
  119 99.99 999
  120 0.94 9
  121 3.9 39
  122 2.3 23
  123 2.3 23
  133 0.39 4
  135 7 70
  136 3.9 39
  137 0.7 7
  149 0.07 1
  150 50.3 503
  151 6.2 62
  152 1.5 15
//