ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009323
RECORD_TITLE: ISOVALERALDEHYDE; 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$NAME: ISOVALERALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O
CH$EXACT_MASS: 86.07316
CH$SMILES: O=CCC(C)C
CH$IUPAC: InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
CH$LINK: INCHIKEY YGHRJJRRZDOVPD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021619

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$SPLASH: splash10-0006-9000000000-5a3fd4f38dc36ebe58a1
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 11.7 117
  28 1.4 14
  29 20.6 206
  39 0.23 2
  41 46 460
  42 11 110
  43 57.2 572
  44 99.99 999
  45 13.7 137
  53 1.4 14
  55 1.8 18
  56 0.16 2
  57 19.5 195
  58 51 510
  59 2.1 21
  60 0.53 5
  68 1.4 14
  69 1.1 11
  71 17.8 178
  72 0.11 1
  85 1.8 18
  86 7.1 71
  87 1.1 11
//