ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009322
RECORD_TITLE: VALERALDEHYDE; 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$NAME: VALERALDEHYDE
CH$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$LINK: INCHIKEY HGBOYTHUEUWSSQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021653

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$SPLASH: splash10-0006-9000000000-13cea7424f1412bca3ec
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  27 5.1 51
  28 3.8 38
  29 27.8 278
  30 0.13 1
  39 1.3 13
  41 21.3 213
  42 8.3 83
  43 1.54 15
  44 99.99 999
  45 11.6 116
  55 2.4 24
  56 0.14 1
  57 16.5 165
  58 38 380
  59 1.3 13
  71 0.18 2
  86 1.4 14
//