ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008495
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: COMPTOX DTXSID8029153
CH$LINK: INCHIKEY SESFRYSPDFLNCH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2345

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4l-9610000000-37d8d16fbb06548d4614
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 1.71 17
  39 7.99 80
  41 1.39 14
  50 6.81 68
  51 22.25 223
  52 1.96 20
  63 2.89 29
  64 1 10
  65 13.73 137
  74 1.31 13
  75 1.11 11
  76 1.71 17
  77 38.02 380
  78 3.31 33
  79 5.59 56
  89 5.16 52
  90 7.88 79
  91 55.25 553
  92 3.33 33
  105 99.99 999
  106 8.13 81
  107 6.71 67
  167 4.32 43
  194 3.46 35
  212 21.41 214
  213 2.76 28
//