ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010901
RECORD_TITLE: TRANS-2-HEXENYL 2-ETHYLBUTYRATE; 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$NAME: TRANS-2-HEXENYL 2-ETHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCC=CCOC(=O)C(CC)CC
CH$IUPAC: InChI=1S/C12H22O2/c1-4-7-8-9-10-14-12(13)11(5-2)6-3/h8-9,11H,4-7,10H2,1-3H3/b9-8+
CH$LINK: INCHIKEY GWLMOEWFTARWTG-CMDGGOBGSA-N

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$SPLASH: splash10-0596-9000000000-c847e2996f9f2ff9ba29
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 16.2 162
  29 18.4 184
  39 14.1 141
  41 43.3 433
  42 5.5 55
  43 62.7 627
  44 1.6 16
  53 5.3 53
  54 9.8 98
  55 53 530
  56 4 40
  57 6.6 66
  67 16.2 162
  68 1.1 11
  69 2.2 22
  70 1.9 19
  71 99.99 999
  72 6.2 62
  81 1.9 19
  82 14.4 144
  83 30.8 308
  84 2.1 21
  87 1.3 13
  88 1.5 15
  99 35.4 354
  100 2.3 23
  117 1.6 16
  169 1.7 17
  198 2.4 24
//