ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008679
RECORD_TITLE: CIS-4-HEPTENAL; 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$NAME: CIS-4-HEPTENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O
CH$EXACT_MASS: 112.08882
CH$SMILES: CCC=CCCC=O
CH$IUPAC: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-
CH$LINK: INCHIKEY VVGOCOMZRGWHPI-ARJAWSKDSA-N
CH$LINK: COMPTOX DTXSID50884332

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$SPLASH: splash10-069u-9000000000-a21983533c6d768fcdeb
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  15 2.93 29
  26 3.36 34
  27 36.49 365
  29 31.4 314
  31 1.56 16
  37 1.06 11
  38 3.32 33
  39 49.63 496
  40 8.51 85
  41 99.99 999
  42 27.66 277
  43 11.39 114
  44 1.28 13
  50 3.89 39
  51 7.92 79
  52 3 30
  53 22.59 226
  54 6.48 65
  55 68.46 685
  56 28.27 283
  57 13.28 133
  58 1.11 11
  63 1.65 17
  65 3.3 33
  66 2.72 27
  67 35.26 353
  68 68.54 685
  69 17.12 171
  70 9.96 100
  71 1.14 11
  77 3.29 33
  79 10.36 104
  81 3.82 38
  83 32.71 327
  84 49.33 493
  85 2.23 22
  94 11.86 119
  95 1.17 12
  97 2.68 27
  112 2.82 28
//