ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006852
RECORD_TITLE: CIS-3-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$NAME: CIS-3-HEPTENOL
CH$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$LINK: INCHIKEY SDZQUCJFTUULJX-PLNGDYQASA-N
CH$LINK: COMPTOX DTXSID90883743

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$SPLASH: splash10-0563-9000000000-b1039fa2c66d3083a830
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  15 1.52 15
  26 2.07 21
  27 29.67 297
  28 3.1 31
  29 26.57 266
  31 34.2 342
  38 2.07 21
  39 34.06 341
  40 3.69 37
  41 79.52 795
  42 22.12 221
  43 17.9 179
  44 7.75 78
  45 1.82 18
  50 1.95 20
  51 3.99 40
  52 2.07 21
  53 14.55 146
  54 31.98 320
  55 99.99 999
  56 17.01 170
  57 15.11 151
  58 1.6 16
  65 2.47 25
  66 1.94 19
  67 31 310
  68 21.63 216
  69 11.04 110
  70 4.04 40
  71 2.75 28
  77 1.37 14
  79 3.07 31
  81 75.08 751
  82 5.06 51
  83 5.07 51
  84 1.86 19
  86 2.79 28
  95 2.68 27
  96 20.78 208
  97 1.64 16
  114 2.75 28
//