MassBank Record: JP001774



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

ACCESSION: JP001774
RECORD_TITLE: OCTADECANOIC ACID BUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: OCTADECANOIC ACID BUTYL ESTER CH$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$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0006-0039000000-94b9262a4efd51edb879 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 61 1.78 18 65 0.54 5 70 0.34 3 71 1.5 15 73 2.19 22 81 0.47 5 83 1.09 11 84 0.34 3 85 1.13 11 91 0.1 1 97 1 10 99 0.49 5 101 0.53 5 116 0.48 5 117 0.65 7 129 1.28 13 185 0.37 4 238 10.74 107 241 0.31 3 264 0.22 2 265 1.16 12 266 0.15 2 267 3.21 32 268 0.55 6 283 2.63 26 284 1.89 19 285 23.93 239 286 4.34 43 287 0.54 5 338 0.14 1 339 10.9 109 340 5.81 58 341 99.99 999 342 22.9 229 343 3.17 32 344 0.15 2 381 0.6 6 383 0.29 3 //