MassBank Record: JP001820



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

ACCESSION: JP001820
RECORD_TITLE: PENTYL 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$NAME: PENTYL BENZOATE CH$NAME: BENZOIC ACID PENTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: CCCCCOC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
AC$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: splash10-05i0-8900000000-2b924112cb980b22a08c PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 27 3.97 40 29 4.48 45 39 4.03 40 41 9.6 96 42 15.36 154 43 6.33 63 50 4.73 47 51 20.79 208 52 1.34 13 55 20.22 202 69 4.22 42 70 36.98 370 71 2.11 21 76 3.07 31 77 63.98 640 78 5.12 51 79 10.75 108 105 99.99 999 106 8 80 122 17.79 178 123 85.41 854 124 6.4 64 192 1.09 11 //