ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007169
RECORD_TITLE: TRANS-3-HEXENYL ISOBUTYRATE; 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$NAME: TRANS-3-HEXENYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: CCC=CCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5+
CH$LINK: INCHIKEY OSMAJVWUIUORGC-AATRIKPKSA-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$SPLASH: splash10-00l6-9000000000-f0d8231210d59e59e634
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.24 12
  27 22.93 229
  28 4.87 49
  29 7.46 75
  39 17.82 178
  40 2.88 29
  41 42.02 420
  42 6.28 63
  43 99.99 999
  44 2.79 28
  51 1.21 12
  53 5.23 52
  54 7.33 73
  55 20.57 206
  56 1.26 13
  65 1.04 10
  66 1.2 12
  67 81.54 815
  68 4.76 48
  69 1.77 18
  70 1.13 11
  71 52.73 527
  72 2.07 21
  79 1.01 10
  81 4.92 49
  82 84.15 842
  83 6.57 66
  89 1.54 15
//