MassBank Record: JP003381



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

ACCESSION: JP003381
RECORD_TITLE: BUTYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL LAURATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H32O2 CH$EXACT_MASS: 256.24023 CH$SMILES: CCCCCCCCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0pi3-9300000000-c69c8d7d991a18669770 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 43 99.99 999 45 3.9 39 53 2.9 29 54 49.7 497 55 84.8 848 56 31.2 312 58 9.1 91 59 2.16 22 60 14.1 141 67 2.2 22 68 2.2 22 69 0.79 8 70 2.1 21 71 7.8 78 73 21.4 214 74 0.29 3 81 2.4 24 83 17.2 172 84 7.1 71 85 0.52 5 87 19.6 196 95 2.4 24 97 3.5 35 98 0.26 3 100 12.5 125 101 24.3 243 102 4 40 111 3.26 33 112 4.5 45 115 3.9 39 116 8.6 86 129 4.66 47 130 3.5 35 142 15.2 152 143 3.9 39 157 0.26 3 171 53.8 538 172 4.7 47 183 10.2 102 200 0.29 3 201 20.4 204 202 2.2 22 231 3.2 32 256 0.37 4 257 2.2 22 //