MassBank Record: JP002554



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

ACCESSION: JP002554
RECORD_TITLE: METHYL ISOBUTYRATE; 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$NAME: METHYL ISOBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H10O2 CH$EXACT_MASS: 102.06808 CH$SMILES: COC(=O)C(C)C CH$IUPAC: InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
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$SPLASH: splash10-0006-9000000000-cd801699f9c2a557b43f PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 16.29 163 26 2.57 26 27 20.97 210 28 3.5 35 29 2.53 25 31 1.99 20 33 1.42 14 38 1.42 14 39 10.83 108 40 2.2 22 41 29.54 295 42 14.2 142 43 99.99 999 44 3.47 35 45 1.38 14 55 5.21 52 59 20.65 207 61 4.61 46 70 1.23 12 71 39.88 399 72 1.86 19 74 3.91 39 87 18.6 186 102 17.95 180 103 1.05 11 //