ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008864
RECORD_TITLE: BENZYL FORMATE; 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$NAME: BENZYL FORMATE
CH$NAME: FORMIC ACID BENZYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₂
CH$EXACT_MASS: 136.05243
CH$SMILES: O=COCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
CH$LINK: INCHIKEY UYWQUFXKFGHYNT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5059298

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$SPLASH: splash10-0006-9300000000-6a77c8d351ff84dc23ee
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 4.45 45
  29 7.48 75
  31 2.35 24
  38 3.59 36
  39 16.39 164
  40 1.3 13
  41 4.45 45
  43 3.09 31
  50 9.09 91
  51 20.47 205
  52 5.32 53
  53 2.84 28
  62 3.83 38
  63 10.02 100
  64 3.09 31
  65 22.63 226
  77 27.21 272
  78 5.75 58
  79 35.81 358
  80 4.21 42
  89 20.1 201
  90 89.67 897
  91 99.99 999
  92 7.48 75
  105 2.97 30
  107 30.86 309
  108 34.51 345
  109 2.66 27
  136 70.44 704
  137 6.18 62
//