ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006508
RECORD_TITLE: TRANS-2-HEXENYL PENTANOATE; 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$NAME: TRANS-2-HEXENYL PENTANOATE
CH$NAME: TRANS-2-HEXENYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCC=CCOC(=O)CCCC
CH$IUPAC: InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
CH$LINK: INCHIKEY WDXAMNXWZLXISB-BQYQJAHWSA-N
CH$LINK: COMPTOX DTXSID40886209

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$SPLASH: splash10-052r-9000000000-171a784619598ba93d51
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 14.25 143
  29 16.07 161
  39 17.33 173
  41 47.35 474
  42 6.97 70
  43 11.34 113
  51 1.21 12
  53 4.8 48
  54 12.3 123
  55 36.29 363
  56 4.5 45
  57 77.43 774
  58 3.07 31
  59 2.89 29
  60 1.53 15
  65 1.16 12
  67 29.06 291
  68 1.78 18
  69 2.25 23
  81 2.82 28
  82 22.34 223
  83 19.88 199
  84 1.73 17
  85 99.99 999
  86 4.66 47
  87 1.4 14
  99 1.95 20
  100 2.14 21
  103 2.25 23
  142 1.1 11
  155 1.48 15
  184 2 20
//