ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008398
RECORD_TITLE: TRANS-3-HEPTENOL; 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$NAME: TRANS-3-HEPTENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O
CH$EXACT_MASS: 114.10447
CH$SMILES: CCCC=CCCO
CH$IUPAC: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3/b5-4+
CH$LINK: INCHIKEY SDZQUCJFTUULJX-SNAWJCMRSA-N
CH$LINK: COMPTOX DTXSID20883796

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$SPLASH: splash10-0a5c-9000000000-e504454fc172a1f0fd79
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 1.44 14
  26 1.68 17
  27 24.14 241
  28 2.88 29
  29 22.57 226
  31 27.37 274
  38 1.35 14
  39 25.88 259
  40 2.94 29
  41 65.21 652
  42 18.44 184
  43 15.57 156
  44 5.31 53
  45 1.29 13
  50 2.08 21
  51 3.36 34
  52 1.41 14
  53 9.77 98
  54 23.61 236
  55 99.99 999
  56 16.9 169
  57 11.24 112
  58 1.38 14
  65 1.95 20
  66 1.53 15
  67 21.76 218
  68 16.7 167
  69 7.74 77
  70 3.73 37
  71 2.32 23
  72 1.17 12
  77 1.31 13
  79 2.62 26
  81 47.73 477
  82 3.53 35
  83 7.66 77
  84 2.36 24
  85 1.15 12
  86 1.78 18
  95 1.8 18
  96 18.13 181
  97 1.19 12
  114 2.51 25
//