ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008593
RECORD_TITLE: TRANS-2-OCTENAL; 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$NAME: TRANS-2-OCTENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O
CH$EXACT_MASS: 126.10447
CH$SMILES: CCCCCC=CC=O
CH$IUPAC: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
CH$LINK: INCHIKEY LVBXEMGDVWVTGY-VOTSOKGWSA-N
CH$LINK: COMPTOX DTXSID40858789

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$SPLASH: splash10-05bf-9000000000-99a25373b09ae940cc4d
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  15 2.45 25
  26 4.17 42
  27 52.26 523
  28 6.37 64
  29 65.98 660
  30 1.57 16
  37 1.12 11
  38 3.9 39
  39 57.47 575
  40 7.42 74
  41 99.99 999
  42 37.9 379
  43 15.51 155
  44 1.25 13
  50 2.46 25
  51 4.63 46
  52 2.01 20
  53 13.23 132
  54 5.03 50
  55 73.26 733
  56 13.78 138
  57 49.61 496
  58 13.77 138
  63 1.17 12
  65 2.13 21
  66 1.82 18
  67 18.78 188
  68 13.42 134
  69 33.74 337
  70 70.14 701
  71 8.28 83
  77 1.9 19
  79 4.93 49
  80 2.17 22
  81 3.74 37
  82 25.82 258
  83 49.34 493
  84 13.84 138
  85 1.72 17
  93 5.65 57
  95 3.29 33
  97 11.14 111
  98 6.81 68
  108 3.38 34
  111 1.78 18
//