MassBank Record: JP001480



 ISOVALERALDEHYDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001480
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
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$SPLASH: splash10-0006-9000000000-3a38c8f6150bf1f43e74 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 14 1.21 12 15 6.09 61 26 2.76 28 27 38.9 389 28 3.09 31 29 36.36 364 31 1.24 12 37 1.58 16 38 3.63 36 39 28.51 285 40 4.14 41 41 74.13 741 42 15.33 153 43 64.42 644 44 99.99 999 45 12.65 127 50 1.61 16 51 1.61 16 53 3.38 34 55 3.31 33 56 2.08 21 57 20.3 203 58 42.79 428 59 1.93 19 60 3.38 34 68 1.13 11 69 1.15 12 71 17.68 177 85 1.63 16 86 7.44 74 //