ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006846
RECORD_TITLE: CIS-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$NAME: CIS-3-HEXENOL
CH$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$LINK: INCHIKEY UFLHIIWVXFIJGU-ARJAWSKDSA-N
CH$LINK: COMPTOX DTXSID6022137

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$SPLASH: splash10-00l6-9000000000-54ee041e574aedb72ec1
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 2.09 21
  26 2.3 23
  27 24.08 241
  28 2.83 28
  29 18.74 187
  30 1.13 11
  31 28.21 282
  38 2.48 25
  39 31.9 319
  40 4.37 44
  41 99.99 999
  42 22.6 226
  43 8.61 86
  44 6.79 68
  45 2.07 21
  50 2.34 23
  51 3.7 37
  52 1.36 14
  53 11.54 115
  54 11.47 115
  55 38.58 386
  56 5.22 52
  57 13.23 132
  58 1.03 10
  63 1 10
  65 2.18 22
  66 1.27 13
  67 72.58 726
  68 5.62 56
  69 23.22 232
  70 10.5 105
  71 1.53 15
  72 2.28 23
  81 4.62 46
  82 37.69 377
  83 2.29 23
  100 1.97 20
//