MassBank Record: JP001824



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

ACCESSION: JP001824
RECORD_TITLE: BUTYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL BUTYRATE CH$NAME: BUTYRIC ACID BUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16O2 CH$EXACT_MASS: 144.11503 CH$SMILES: CCCCOC(=O)CCC CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
AC$INSTRUMENT: HITACHI RMU-7M 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: splash10-0596-9000000000-d391cfb43ea3b2438e3d PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 26 1.34 13 27 17.85 179 29 23.19 232 31 2.04 20 39 12.58 126 40 2.67 27 41 60.08 601 42 11.6 116 43 99.99 999 44 4.01 40 45 2.25 23 55 12.51 125 56 70.48 705 57 22.14 221 60 12.09 121 61 2.11 21 70 1.05 11 71 81.94 819 72 3.37 34 73 6.54 65 88 3.16 32 89 35.84 358 90 1.48 15 101 4.43 44 //