ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006847
RECORD_TITLE: TRANS-3-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$NAME: TRANS-3-HEXENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCC=CCCO
CH$IUPAC: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
CH$LINK: INCHIKEY UFLHIIWVXFIJGU-ONEGZZNKSA-N
CH$LINK: COMPTOX DTXSID1022138

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$SPLASH: splash10-00kf-9000000000-5205dfcd839a24c16b1e
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 2.27 23
  26 2.36 24
  27 22.24 222
  29 13.31 133
  30 1.19 12
  31 26.3 263
  38 2.7 27
  39 29.88 299
  40 3.88 39
  41 99.99 999
  42 21.27 213
  43 8.98 90
  44 6.71 67
  45 2.11 21
  50 2.2 22
  51 3.37 34
  52 1.32 13
  53 9.29 93
  54 8.41 84
  55 34.95 350
  56 4.67 47
  57 10.83 108
  65 1.97 20
  66 1.17 12
  67 50.38 504
  68 5.11 51
  69 38.26 383
  70 11.03 110
  71 1.78 18
  72 2.66 27
  79 1.09 11
  81 3.32 33
  82 33.56 336
  83 3.08 31
  100 2.06 21
//