MassBank Record: JP003342



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

ACCESSION: JP003342
RECORD_TITLE: BUTYL STEARATE; 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$NAME: BUTYL STEARATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H44O2 CH$EXACT_MASS: 340.33413 CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
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$SPLASH: splash10-0a4i-9210000000-c10ada2b8c68ab9b2ec5 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 45 2.1 21 53 2.6 26 54 64.1 641 55 99.99 999 56 81 810 57 4.1 41 59 30.6 306 60 2.29 23 67 6.7 67 68 4 40 69 23.8 238 70 0.54 5 71 21.1 211 73 32.8 328 74 3.5 35 81 0.5 5 82 2.8 28 83 13.5 135 84 7.2 72 85 1.25 13 87 6.7 67 95 5.2 52 97 11.3 113 98 1.04 10 101 11.4 114 109 2.2 22 111 5.6 56 112 0.28 3 115 5.2 52 116 27.6 276 117 12.2 122 125 0.21 2 129 19.6 196 130 2 20 143 3.3 33 157 0.2 2 171 3.1 31 185 7.3 73 211 4.1 41 213 0.33 3 228 2.5 25 229 8.6 86 239 9.5 95 241 0.27 3 256 5.9 59 257 23.4 234 258 4.1 41 267 0.57 6 284 7.9 79 285 14.6 146 286 0.21 2 341 4.8 48 //