MassBank Record: JP001315

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ACETIC ACID BENZYL ESTER; EI-B; MS

Mass Spectrum
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ACCESSION: JP001315
RECORD_TITLE: ACETIC ACID BENZYL ESTER; 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$NAME: ACETIC ACID BENZYL ESTER
CH$NAME: BENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.0680800000000090221874415874481201171875
CH$SMILES: CC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
CH$LINK: COMPTOX DTXSID0020151
CH$LINK: INCHIKEY QUKGYYKBILRGFE-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-052f-9500000000-87826789a793b8c5d4fd
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 4.51 45
  27 2.08 21
  28 1.71 17
  29 1 10
  38 1.81 18
  39 9.12 91
  41 2.08 21
  43 50.18 502
  44 1.81 18
  45.5 2.08 21
  50 4.51 45
  51 11.82 118
  52 3.07 31
  62 1.81 18
  63 5.6 56
  64 1.81 18
  65 14.44 144
  77 14.8 148
  78 4.15 42
  79 28.25 283
  80 2.71 27
  89 13.36 134
  90 42.33 423
  91 55.32 553
  92 4.33 43
  105 3.25 33
  107 17.42 174
  108 99.99 999
  109 7.85 79
  150 28.25 283
  151 2.71 27
//