ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007079
RECORD_TITLE: PHENYLETHYL ISOVALERATE; 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$NAME: PHENYLETHYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(C)CC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
CH$LINK: COMPTOX DTXSID2059693
CH$LINK: INCHIKEY JIMGVOCOYZFDKB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8792

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$SPLASH: splash10-0udi-7900000000-baa61a546a03d2c7b7c3
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 5.25 53
  29 5.66 57
  39 6.42 64
  41 12.08 121
  42 2.68 27
  43 5.49 55
  51 3.08 31
  55 1.24 12
  57 26.05 261
  63 1.17 12
  65 3.69 37
  77 6.87 69
  78 3.1 31
  79 3.19 32
  85 12.7 127
  91 8.56 86
  92 1.05 11
  103 3.41 34
  104 99.99 999
  105 23.68 237
  106 1.34 13
//