ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002196
RECORD_TITLE: 2,4-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$NAME: 2,4-DIMETHYLBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: COC(=O)c(c1)c(C)cc(C)c1
CH$IUPAC: InChI=1S/C10H12O2/c1-7-4-5-9(8(2)6-7)10(11)12-3/h4-6H,1-3H3
CH$LINK: INCHIKEY QQCLNRPRQRDMCK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20178290

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$SPLASH: splash10-001i-2900000000-690f2da82fd946ce62b5
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  42 1.8 18
  45 4.3 43
  50 1.8 18
  51 0.75 8
  52 4.3 43
  53 5.6 56
  59 1.2 12
  60 0.12 1
  62 2.5 25
  63 4.3 43
  65 4.3 43
  66 0.12 1
  74 5 50
  75 1.2 12
  77 21.8 218
  78 0.75 8
  79 15.6 156
  80 2.5 25
  89 4.3 43
  91 0.56 6
  93 1.2 12
  102 2.5 25
  103 11.2 112
  104 1.75 18
  105 57.5 575
  106 6.8 68
  119 2.5 25
  120 0.31 3
  123 1.2 12
  132 58.7 587
  133 99.99 999
  134 1 10
  135 3.1 31
  137 1.2 12
  140 1.8 18
  147 0.18 2
  149 3.7 37
  163 3.7 37
  164 46.8 468
  165 5 50
//