ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001512
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O₂
CH$EXACT_MASS: 212.08373
CH$SMILES: O=C(OCc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
CH$LINK: INCHIKEY SESFRYSPDFLNCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8029153

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-9600000000-053d8df1e84bfa72c807
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 8.5 85
  28 1.11 11
  38 1.11 11
  39 6.5 65
  41 1.63 16
  50 4.75 48
  51 16.07 161
  52 2.04 20
  63 3.07 31
  64 1.3 13
  65 11.54 115
  74 1.37 14
  75 1.15 12
  76 1.8 18
  77 31.42 314
  78 3.82 38
  79 6.05 61
  89 4.56 46
  90 8.78 88
  91 49.42 494
  92 4.51 45
  105 99.99 999
  106 9.14 91
  107 7.49 75
  165 1.22 12
  167 5.42 54
  194 5.65 57
  195 1.06 11
//