ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008209
RECORD_TITLE: 2-OCTENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2-OCTENAL
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9000000000-7df15aa35b9236e47687
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  39 10.51 105
  41 99.99 999
  42 53.75 538
  43 18.02 180
  44 1.51 15
  54 3 30
  55 80.48 805
  56 25.52 255
  57 53.45 535
  58 27.03 270
  60 1.51 15
  67 21.02 210
  68 10.51 105
  69 24.32 243
  70 78.68 787
  71 12.01 120
  79 6.01 60
  80 3 30
  81 6.01 60
  82 30.93 309
  83 55.26 553
  84 15.32 153
  93 7.51 75
  95 4.5 45
  97 19.52 195
  98 12.01 120
  111 1.8 18
//