ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006525
RECORD_TITLE: TRANS-2-HEXENYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-2-HEXENYL ISOVALERATE
CH$NAME: TRANS-2-HEXENYL ISOPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCC=CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
CH$LINK: INCHIKEY SAVRWHQEMHIAEB-VOTSOKGWSA-N
CH$LINK: COMPTOX DTXSID70887486

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$SPLASH: splash10-0a4r-9000000000-c29f2a3ae9937e010b9a
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 16.58 166
  29 19.73 197
  39 18.99 190
  41 52.55 526
  42 7.5 75
  43 11.81 118
  53 6.22 62
  54 12.19 122
  55 39.25 393
  56 5.36 54
  57 82.74 827
  58 2.98 30
  59 2.55 26
  60 1.89 19
  67 29.06 291
  68 1.69 17
  69 2.37 24
  81 2.59 26
  82 20.14 201
  83 20.06 201
  84 1.63 16
  85 99.99 999
  86 5.53 55
  87 1.38 14
  99 1.79 18
  100 2.09 21
  103 1.91 19
  155 1.26 13
  184 1.69 17
//