ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007189
RECORD_TITLE: CIS-3-HEXENYL 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$NAME: CIS-3-HEXENYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CCC=CCCOC(=O)CCCC
CH$IUPAC: InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
CH$LINK: INCHIKEY XPFTVTFOOTVHIA-ALCCZGGFSA-N
CH$LINK: COMPTOX DTXSID40885636

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$SPLASH: splash10-05o9-9000000000-3e1a4f898f761efb7fa6
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 13.49 135
  29 22.57 226
  39 13.63 136
  41 38.36 384
  42 5.45 55
  43 3.2 32
  53 5.3 53
  54 7.17 72
  55 22.26 223
  56 2.97 30
  57 46.34 463
  58 1.82 18
  67 78.41 784
  68 4.76 48
  69 1.32 13
  79 1.05 11
  81 5.75 58
  82 99.99 999
  83 11.65 117
  85 51.12 511
  86 2.51 25
  103 1.42 14
//