MassBank Record: JP001319



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

ACCESSION: JP001319
RECORD_TITLE: ACETIC ACID OCTYL 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$NAME: ACETIC ACID OCTYL ESTER CH$NAME: OCTYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H20O2 CH$EXACT_MASS: 172.14633 CH$SMILES: CCCCCCCCOC(C)=O CH$IUPAC: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
AC$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-a81fd8b1966f2694f866 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 15 2.5 25 27 8 80 28 2.79 28 29 13.36 134 39 5.79 58 41 30.64 306 42 20.86 209 43 99.99 999 44 2.57 26 53 1.29 13 54 2.5 25 55 35.43 354 56 42.14 421 57 14.29 143 58 2.71 27 61 25.36 254 67 2.36 24 68 6.79 68 69 28 280 70 38 380 71 6.86 69 73 6.21 62 82 6.36 64 83 24.21 242 84 27 270 85 1.71 17 97 2.14 21 98 2.07 21 112 7.5 75 116 1.64 16 //