ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009676
RECORD_TITLE: 4-METHYLBENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYLBENZYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₂
CH$EXACT_MASS: 226.09938
CH$SMILES: Cc(c2)ccc(c2)COC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O2/c1-12-7-9-13(10-8-12)11-17-15(16)14-5-3-2-4-6-14/h2-10H,11H2,1H3
CH$LINK: INCHIKEY VHSYVZKRJCCJMK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40885717

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$SPLASH: splash10-0a4i-8920000000-7ccc4bb39ba5d2fcd436
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  26 1.3 13
  27 6.7 67
  29 4.3 43
  38 0.18 2
  39 9.7 97
  40 1.1 11
  41 2.7 27
  43 0.17 2
  44 4.9 49
  45 5 50
  50 8.8 88
  51 2.78 28
  52 3.8 38
  53 2.8 28
  57 1.7 17
  62 0.16 2
  63 4.8 48
  64 1.4 14
  65 10.7 107
  66 0.14 1
  74 2.1 21
  75 2.1 21
  76 3.4 34
  77 5.94 59
  78 13.1 131
  79 9.8 98
  89 2.8 28
  90 0.16 2
  91 17.8 178
  92 2.4 24
  93 5 50
  103 0.65 7
  104 8.9 89
  105 99.99 999
  106 8.5 85
  107 0.32 3
  108 1.6 16
  119 8.5 85
  120 5.2 52
  121 0.59 6
  122 9 90
  136 1.3 13
  181 1.7 17
  208 0.27 3
  226 33.7 337
  227 4.4 44
//