ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010896
RECORD_TITLE: TRANS-2-HEXENYL 2-METHYLBUTYRATE; 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$NAME: TRANS-2-HEXENYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCC=CCOC(=O)C(C)CC
CH$IUPAC: InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+
CH$LINK: INCHIKEY SXJKRFLZGRFPBD-BQYQJAHWSA-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$SPLASH: splash10-0a4i-9000000000-1fc04ce24b13844e373a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 14.6 146
  29 26.9 269
  39 14.9 149
  41 48.5 485
  42 4 40
  43 2.9 29
  53 4.9 49
  54 9 90
  55 46.8 468
  56 5.7 57
  57 99.99 999
  58 4.3 43
  67 16.7 167
  69 1.1 11
  81 2.1 21
  82 12.5 125
  83 25.5 255
  84 2.2 22
  85 40.1 401
  86 1.6 16
  103 1.4 14
  184 2.1 21
//