ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008764
RECORD_TITLE: 2-HEXENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: 2-HEXENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: CCCC=CC=O
CH$IUPAC: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
CH$LINK: CAS 6728-26-3
CH$LINK: INCHIKEY MBDOYVRWFFCFHM-SNAWJCMRSA-N
CH$LINK: COMPTOX DTXSID1041425

AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-052f-9000000000-f330c324a8f7835bccc7
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  37 4.5 45
  38 10.31 103
  39 70.85 709
  40 14.29 143
  41 99.99 999
  42 59.06 591
  43 24.47 245
  44 2.69 27
  50 5.91 59
  51 6.08 61
  53 11.79 118
  54 9.65 97
  55 72.81 728
  56 17.93 179
  57 33.75 338
  62 2.37 24
  63 2.39 24
  65 2.45 25
  67 5.23 52
  68 6.1 61
  69 57.17 572
  70 14.41 144
  79 5.35 54
  80 7.76 78
  81 3.15 32
  83 35.92 359
  84 2.18 22
  97 6.36 64
  98 12.81 128
//