ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002197
RECORD_TITLE: 2,5-DIMETHYLBENZOIC 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$NAME: 2,5-DIMETHYLBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: COC(=O)c(c1)c(C)ccc(C)1
CH$IUPAC: InChI=1S/C10H12O2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h4-6H,1-3H3
CH$LINK: INCHIKEY YILVOENZHZWHHK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00297837
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$SPLASH: splash10-001i-2900000000-3b368cce71f0f903d7fe
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  45 11.2 112
  50 2.8 28
  51 18.6 186
  52 0.28 3
  53 7.4 74
  54 1.8 18
  55 1.8 18
  59 1.02 10
  62 3.7 37
  63 5.6 56
  65 7.4 74
  71 0.18 2
  73 1.8 18
  74 2.8 28
  75 5.6 56
  77 2.99 30
  78 12.1 121
  79 21.4 214
  80 2.8 28
  89 0.18 2
  91 9.3 93
  92 2.8 28
  93 4.6 46
  102 0.56 6
  103 22.4 224
  104 44.8 448
  105 80.3 803
  106 0.74 7
  110 2.8 28
  116 1.8 18
  117 1.8 18
  119 0.28 3
  120 2.8 28
  132 99.99 999
  133 85.9 859
  134 1.02 10
  135 1.8 18
  147 2.8 28
  149 8.4 84
  150 0.18 2
  157 1.8 18
  163 3.7 37
  164 56 560
  165 5.6 56
//
