ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006768
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$NAME: 2-ETHYLBUTYRALDEHYDE
CH$NAME: 2-ETHYLBUTANAL
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-ce9ff4aa35d72211f5d8
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 1.45 15
  26 1.99 20
  27 20.25 203
  28 2.17 22
  29 21.7 217
  31 1.27 13
  38 1.27 13
  39 12.66 127
  40 1.45 15
  41 23.69 237
  42 4.16 42
  43 99.99 999
  44 3.25 33
  51 1.08 11
  53 2.17 22
  54 1.27 13
  55 9.76 98
  56 2.17 22
  57 10.85 109
  58 2.89 29
  70 1.08 11
  71 22.06 221
  72 30.2 302
  73 1.27 13
  82 5.06 51
  100 3.98 40
//
