ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008931
RECORD_TITLE: 2-ETHYLBUTYRALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-ETHYLBUTYRALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCC(CC)C=O
CH$IUPAC: InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY UNNGUFMVYQJGTD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3049380
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-006x-9000000000-ab1bb56147c11216dbd5
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 3.2 32
  28 1.6 16
  29 12.4 124
  39 0.11 1
  41 14.4 144
  42 2.9 29
  43 99.99 999
  44 0.32 3
  53 1.1 11
  54 1.1 11
  55 8.9 89
  56 0.21 2
  57 10.2 102
  58 2.9 29
  69 1.1 11
  70 0.24 2
  71 25 250
  72 36.7 367
  73 1.7 17
  82 0.29 3
  100 3.5 35
//
