MassBank Record: JP001778



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

ACCESSION: JP001778
RECORD_TITLE: DOCOSANOIC 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$NAME: DOCOSANOIC ACID BUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H52O2 CH$EXACT_MASS: 396.39673 CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h3-25H2,1-2H3
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: splash10-0002-0009000000-412d593c83bea69f310a PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 61 3.55 36 65 0.79 8 67 0.51 5 69 1.37 14 70 0.58 6 71 2.28 23 73 2.85 29 81 0.72 7 83 2.06 21 84 0.55 6 85 2.15 22 95 0.59 6 97 1.68 17 98 0.52 5 101 0.85 9 111 0.39 4 116 0.93 9 117 1.45 15 129 2.07 21 185 0.56 6 293 14.47 145 297 0.24 2 320 0.37 4 321 2.27 23 322 0.57 6 323 3.8 38 324 0.84 8 339 2.94 29 341 37.89 379 342 7.57 76 343 0.95 10 395 16.24 162 396 8.98 90 397 99.99 999 398 26.76 268 399 6.44 64 400 0.48 5 437 0.97 10 438 0.16 2 439 0.5 5 //