ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011119
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA 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$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0a4i-9720000000-f05c57dce7b414894a2e
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 1.8 18
  29 1.3 13
  38 1.2 12
  39 6 60
  40 2.1 21
  41 1.4 14
  50 6.2 62
  51 17.1 171
  52 2.3 23
  63 2.8 28
  65 10 100
  74 1.7 17
  75 1.3 13
  76 2 20
  77 36.5 365
  78 4.2 42
  79 7.5 75
  89 4.4 44
  90 6.2 62
  91 43.1 431
  92 3.2 32
  105 99.99 999
  106 9.7 97
  107 7.2 72
  108 2.2 22
  122 8.7 87
  165 1 10
  167 5 50
  194 4.8 48
  212 35.8 358
  213 5.3 53
//