ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010862
RECORD_TITLE: PHENETHYL VALERATE; 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$NAME: PHENETHYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈O₂
CH$EXACT_MASS: 206.13068
CH$SMILES: CCCCC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
CH$LINK: INCHIKEY PDGPIBIURNPBSE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9064712

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$SPLASH: splash10-0udi-7900000000-a77ae227e5011e89cd18
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  14 1.3 13
  27 5.4 54
  29 10.6 106
  39 4.3 43
  41 9.1 91
  42 1.6 16
  43 1.3 13
  50 1 10
  51 2.9 29
  55 2.4 24
  57 22.1 221
  63 1.1 11
  65 3.4 34
  77 5.3 53
  78 2.9 29
  79 3.4 34
  85 14.1 141
  91 6 60
  92 1.1 11
  103 3.5 35
  104 99.99 999
  105 20.3 203
  106 1.3 13
//