ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005651
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9810000000-e3b80444bd7ae9437590
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 1.21 12
  29 1.01 10
  39 5.46 55
  41 1.22 12
  50 3.72 37
  51 14.79 148
  52 1.04 10
  63 2.8 28
  65 12.08 121
  77 28.64 286
  78 3.18 32
  79 4.06 41
  89 3.24 32
  90 5.52 55
  91 47.29 473
  92 3.82 38
  105 99.99 999
  106 9.85 99
  107 7.22 72
  122 1.04 10
  152 1.01 10
  165 1.01 10
  167 3.86 39
  194 5.81 58
  195 1.06 11
  212 24.32 243
  213 4.78 48
//