MassBank Record: JP001084



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

ACCESSION: JP001084
RECORD_TITLE: 2-(TRIMETHYLSILYL)OXY-DOCOSANOIC ACID TRIMETHYLSILYL ESTER; 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$NAME: 2-(TRIMETHYLSILYL)OXY-DOCOSANOIC ACID TRIMETHYLSILYL ESTER CH$NAME: TRIMETHYLSILYL 2-TRIMETHYLSILOXYDOCOSANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C28H60O3Si2 CH$EXACT_MASS: 500.40810 CH$SMILES: C[Si](C)(C)OC(=O)C(CCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C CH$IUPAC: InChI=1S/C28H60O3Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(30-32(2,3)4)28(29)31-33(5,6)7/h27H,8-26H2,1-7H3
AC$INSTRUMENT: JEOL JMS-01-SG 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: splash10-001i-9407000000-4ec6dcdafcd1e6c52c76 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 43 12.2 122 44 1.6 16 55 14.4 144 57 2.58 26 67 5 50 69 15.2 152 71 15.2 152 73 5.67 57 75 22 220 77 2.1 21 81 5 50 82 0.5 5 83 23.3 233 85 11 110 91 9.7 97 95 0.88 9 96 4.6 46 97 23.7 237 103 19.9 199 111 1.39 14 129 13.9 139 147 37.7 377 148 5 50 149 0.5 5 383 99.99 999 384 29.2 292 385 7.2 72 457 0.46 5 485 5.5 55 //