MassBank Record: JP001308



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

ACCESSION: JP001308
RECORD_TITLE: ACETIC ACID HEXYL ESTER; 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$NAME: ACETIC ACID HEXYL ESTER CH$NAME: HEXYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16O2 CH$EXACT_MASS: 144.11503 CH$SMILES: CCCCCCOC(C)=O CH$IUPAC: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
AC$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: splash10-052f-9000000000-a501dc38f24dd902d772 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 3.69 37 27 7.13 71 28 2.77 28 29 7.38 74 31 1 10 39 4.86 49 40 1.11 11 41 17.09 171 42 18.99 190 43 99.99 999 44 2.77 28 54 1.6 16 55 23.6 236 56 51.51 515 57 3.63 36 58 3.32 33 61 22.13 221 69 16.59 166 70 1.17 12 71 1.29 13 73 8.97 90 83 2.77 28 84 18.44 184 85 1.72 17 101 1.23 12 //