MassBank Record: JP002548



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

ACCESSION: JP002548
RECORD_TITLE: ISOBUTYL BUTYRATE; 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$NAME: ISOBUTYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16O2 CH$EXACT_MASS: 144.11503 CH$SMILES: CCCC(=O)OCC(C)C CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
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$SPLASH: splash10-05fu-9000000000-8ca43e86a485b4a1debf PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 15 1.52 15 27 13.9 139 28 2.56 26 29 12.06 121 31 1.42 14 39 7.39 74 40 1.32 13 41 23.65 237 42 3.71 37 43 46.33 463 44 1.63 16 55 2.61 26 56 45.82 458 57 21.22 212 60 5.97 60 70 1.69 17 71 99.99 999 72 4.84 48 73 3.62 36 88 3.93 39 89 17.25 173 101 6.56 66 114 2.05 21 116 1.51 15 //