ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006851
RECORD_TITLE: 2-HEPTENOL; 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$NAME: 2-HEPTENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O
CH$EXACT_MASS: 114.10447
CH$SMILES: CCCCC=CCO
CH$IUPAC: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+
CH$LINK: INCHIKEY ASFYPVGAALGVNR-AATRIKPKSA-N
CH$LINK: COMPTOX DTXSID30879009
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$SPLASH: splash10-0a4l-9000000000-71d2b6bb02ec727ce33e
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 1.59 16
  26 1.98 20
  27 32.69 327
  28 2.32 23
  29 28.3 283
  30 1.17 12
  31 12.54 125
  38 1.45 15
  39 24.44 244
  40 3.06 31
  41 49.2 492
  42 18.06 181
  43 26.09 261
  44 18.41 184
  45 3.22 32
  50 1.14 11
  51 2.27 23
  52 1.22 12
  53 5.48 55
  54 14.91 149
  55 31.53 315
  56 7.21 72
  57 99.99 999
  58 6.28 63
  65 1.21 12
  67 7.98 80
  68 15.39 154
  69 3.94 39
  70 8.88 89
  71 10.64 106
  72 3.84 38
  81 17.12 171
  82 1.2 12
  83 1.41 14
  85 2.56 26
  86 1.62 16
  96 9.32 93
  114 1.85 19
  115 1.21 12
//
