MassBank Record: JP001839



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

ACCESSION: JP001839
RECORD_TITLE: UNDECYL 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$NAME: UNDECYL BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H28O2 CH$EXACT_MASS: 276.20893 CH$SMILES: CCCCCCCCCCCOC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3
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$SPLASH: splash10-0ab9-9700000000-0fd04ca45905d8ec1ae1 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 27 1.17 12 29 3.13 31 39 2.02 20 41 15.73 157 42 3.85 39 43 15.4 154 51 5.16 52 54 2.15 22 55 22.52 225 56 17.56 176 57 13.12 131 67 4.77 48 68 4.9 49 69 22.45 225 70 21.34 213 71 5.74 57 76 1.11 11 77 42.43 424 78 2.87 29 79 12.27 123 81 2.55 26 82 8.94 89 83 22.13 221 84 16.84 168 85 3.39 34 96 5.03 50 97 20.56 206 98 7.9 79 105 99.99 999 106 7.57 76 110 1.11 11 111 7.7 77 112 2.68 27 122 9.4 94 123 98.24 982 124 7.31 73 125 2.74 27 126 3.2 32 141 2.09 21 154 3.46 35 //