MassBank Record: JP001674



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

ACCESSION: JP001674
RECORD_TITLE: ISOAMYL BENZOATE; 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$NAME: ISOAMYL BENZOATE CH$NAME: ISOPENTYL BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: CC(C)CCOC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
AC$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: splash10-05fr-9500000000-2effe379809884c4562d PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 27 4.47 45 28 1.63 16 29 4.26 43 39 3.4 34 41 7.45 75 42 10.64 106 43 7.94 79 50 2.62 26 51 10.99 110 55 25.96 260 56 1.49 15 69 3.05 31 70 99.99 999 71 6.03 60 76 1.84 18 77 38.87 389 78 3.12 31 79 3.19 32 105 96.52 965 106 7.8 78 122 6.38 64 123 26.38 264 124 2.06 21 149 0.85 9 //