ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007586
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, 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$LINK: CAS 120-51-4
CH$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$SPLASH: splash10-0a4i-7920000000-e4f7251f775b85f6af09
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  50 2.91 29
  51 10.22 102
  63 2.01 20
  65 8.22 82
  77 25.93 259
  79 4.41 44
  90 7.42 74
  91 44.55 446
  105 99.99 999
  106 8.62 86
  165 1.01 10
  167 5.01 50
  194 6.82 68
  195 1.11 11
  212 23.83 238
  213 4.1 41
//