ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005411
RECORD_TITLE: BENZYL BENZOATE; 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$NAME: BENZYL BENZOATE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4l-9810000000-7d82df2148f364364d37
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 2.06 21
  31 6.71 67
  39 3.87 39
  45 3.35 34
  50 2.65 27
  51 10.13 101
  63 1.87 19
  65 9.23 92
  77 32.9 329
  78 2.58 26
  79 5.48 55
  89 4.52 45
  90 7.16 72
  91 43.81 438
  92 3.48 35
  105 99.99 999
  106 8.39 84
  107 6.26 63
  167 5.74 57
  168 1.23 12
  194 10.32 103
  195 1.67 17
  212 22.06 221
  213 3.48 35
//