ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007097
RECORD_TITLE: PHENYLETHYL 2-METHYLBUTYRATE; 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$NAME: PHENYLETHYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CCC(C)C(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
CH$LINK: INCHIKEY KVKKTLBBYFABAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047567

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$SPLASH: splash10-0udi-6900000000-9602626c2b7551635129
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 3.57 36
  29 7.24 72
  39 3.47 35
  41 7.61 76
  51 2.24 22
  55 1.27 13
  56 1 10
  57 30.79 308
  58 1.14 11
  65 2.55 26
  77 5.79 58
  78 2.36 24
  79 3.12 31
  85 5.93 59
  91 6.58 66
  92 1.08 11
  103 3.83 38
  104 99.99 999
  105 17.66 177
  106 1.02 10
//