ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006275
RECORD_TITLE: BENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-056r-9300000000-b15752c1190b0242b115
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  13 1.03 10
  14 5.63 56
  15 9.97 100
  28 58.71 587
  29 18.49 185
  30 2.33 23
  31 26.85 269
  32 21.45 215
  37 0.97 10
  38 2.11 21
  39 10.29 103
  40 1.21 12
  41 6 60
  42 1.37 14
  43 3.11 31
  44 1.48 15
  45 0.65 7
  49 0.6 6
  50 11.24 112
  51 27.73 277
  52 5.73 57
  53 1.53 15
  55 2.41 24
  56 1.19 12
  57 1.82 18
  58 1.43 14
  62 1.62 16
  63 5.02 50
  64 1.71 17
  65 13.98 140
  66 1.07 11
  67 0.74 7
  69 7.53 75
  70 1.24 12
  71 1.29 13
  72 0.6 6
  73 0.95 10
  74 2.87 29
  75 1.9 19
  76 3.26 33
  77 46.07 461
  78 6.99 70
  79 12.07 121
  80 0.93 9
  81 0.66 7
  83 0.76 8
  84 0.62 6
  85 0.69 7
  89 6.61 66
  90 7.52 75
  91 56.09 561
  92 5.47 55
  105 99.99 999
  106 9.27 93
  107 7.99 80
  108 1.53 15
  119 2 20
  131 1.81 18
  165 1.64 16
  166 0.66 7
  167 5.83 58
  168 0.94 9
  169 1.59 16
  181 1.02 10
  194 5.72 57
  195 0.86 9
  212 33.05 331
  213 6.05 61
//