MassBank Record: JP001511



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

ACCESSION: JP001511
RECORD_TITLE: PENTYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PENTYL BENZOATE CH$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$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-05fr-7900000000-a0692fa23c3ebfaf9f84 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 27 8.5 85 28 1.73 17 29 7.99 80 39 5.57 56 40 1.03 10 41 10.92 109 42 15.54 155 43 6.65 67 50 4.58 46 51 17.27 173 52 1.38 14 55 12.82 128 69 3.5 35 70 26.33 263 71 1.86 19 74 1.03 10 75 1.21 12 76 2.98 30 77 49.46 495 78 4.19 42 79 7.56 76 105 99.99 999 106 8.55 86 107 1.08 11 122 18.22 182 123 81.1 811 124 6.61 66 135 1.34 13 192 3.19 32 //