ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008200
RECORD_TITLE: VALERALDEHYDE; 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$NAME: VALERALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O
CH$EXACT_MASS: 86.07316
CH$SMILES: CCCCC=O
CH$IUPAC: InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
CH$LINK: COMPTOX DTXSID7021653
CH$LINK: INCHIKEY HGBOYTHUEUWSSQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8063

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$SPLASH: splash10-0006-9000000000-08edf93fe7097ce9a9af
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  39 3.31 33
  41 31.46 315
  42 5.96 60
  43 8.61 86
  44 99.99 999
  45 22.85 229
  49 1.66 17
  53 1.66 17
  55 2.98 30
  57 26.49 265
  58 22.52 225
  68 1.66 17
  73 2.98 30
  86 3.31 33
//