ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011499
RECORD_TITLE: BENZYL 2-METHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL 2-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₂
CH$EXACT_MASS: 226.09938
CH$SMILES: Cc(c2)c(ccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O2/c1-12-7-5-6-10-14(12)15(16)17-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
CH$LINK: INCHIKEY IRNSYGIUGHROTJ-UHFFFAOYSA-N

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$SPLASH: splash10-00kf-9430000000-daee0022520caecec5b5
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  27 2.01 20
  28 4.48 45
  29 1.18 12
  38 1.16 12
  39 10.65 107
  41 3.19 32
  45 3.11 31
  50 3.27 33
  51 9.66 97
  52 2.37 24
  53 1.33 13
  62 1.45 15
  63 7.64 76
  64 2.31 23
  65 33.29 333
  66 2.11 21
  74 1.15 12
  75 1 10
  76 1.35 14
  77 15.85 159
  78 2.93 29
  79 8.34 83
  89 11.06 111
  90 13.6 136
  91 99.99 999
  92 15.26 153
  105 9.16 92
  107 4.83 48
  108 2.05 21
  118 11.14 111
  119 62.57 626
  120 5.95 60
  122 6.33 63
  135 10.08 101
  136 7.36 74
  148 1.51 15
  165 1.15 12
  167 2.33 23
  181 3 30
  208 49.42 494
  209 8.29 83
  211 1.6 16
  226 26.3 263
  227 4.4 44
//