ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010904
RECORD_TITLE: CIS-3-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$NAME: CIS-3-HEXENYL 2-ETHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CCC=CCCOC(=O)C(CC)CC
CH$IUPAC: InChI=1S/C12H22O2/c1-4-7-8-9-10-14-12(13)11(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7-
CH$LINK: INCHIKEY LFDWLVXNYKQQBT-FPLPWBNLSA-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$SPLASH: splash10-00sl-9000000000-827b7089dc1adc1ba117
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 11.3 113
  29 12.7 127
  39 10.4 104
  41 27.2 272
  42 4.1 41
  43 41.5 415
  53 4.6 46
  54 5.1 51
  55 21.7 217
  56 1.3 13
  67 58.4 584
  68 2.9 29
  69 1.8 18
  70 1.9 19
  71 54 540
  72 2.4 24
  81 4.1 41
  82 99.99 999
  83 9.5 95
  99 17.5 175
  117 2.2 22
//