ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006845
RECORD_TITLE: TRANS-2-HEXENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-2-HEXENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCCC=CCO
CH$IUPAC: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+
CH$LINK: INCHIKEY ZCHHRLHTBGRGOT-SNAWJCMRSA-N
CH$LINK: COMPTOX DTXSID2047062

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$SPLASH: splash10-0a4l-9000000000-0339132bed8a2355e193
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.6 16
  26 2.11 21
  27 24.49 245
  28 2.1 21
  29 23.4 234
  30 1.18 12
  31 10.84 108
  38 1.75 18
  39 19.32 193
  40 2.88 29
  41 43.6 436
  42 7.82 78
  43 18.93 189
  44 17.69 177
  45 3.55 36
  50 1.49 15
  51 2.4 24
  52 1.12 11
  53 6.3 63
  54 5.3 53
  55 10.65 107
  56 9.79 98
  57 99.99 999
  58 6.4 64
  59 1.25 13
  67 14.35 144
  68 1.17 12
  69 4.8 48
  70 1.54 15
  71 9.85 99
  72 4.92 49
  81 1.17 12
  82 18.41 184
  83 1.91 19
  100 1.96 20
//