MassBank Record: JP006904

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O-METHYLBENZYL ACETATE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP006904
RECORD_TITLE: O-METHYLBENZYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: O-METHYLBENZYL ACETATE
CH$NAME: 1-ACETOXYMETHYL-2-METHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CC(=O)OCc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY BKKDUUVBVHYZFA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90169650

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0udi-5900000000-78ff90a7a4c5e2dccf1e
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 2.95 30
  27 2.01 20
  39 5.71 57
  41 1.13 11
  43 20.57 206
  50 1.5 15
  51 4.77 48
  52 1.35 14
  53 1.3 13
  63 3.12 31
  65 5.95 60
  77 12.11 121
  78 11.37 114
  79 6.52 65
  89 1.78 18
  91 8.6 86
  93 3.79 38
  102 1.1 11
  103 11.23 112
  104 99.99 999
  105 28.87 289
  106 2.48 25
  107 7.11 71
  119 1.54 15
  121 1.11 11
  122 4.06 41
//