MassBank Record: JP000580



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

ACCESSION: JP000580
RECORD_TITLE: PALMITELADIC 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$NAME: PALMITELADIC ACID TRIMETHYLSILYL ESTER CH$NAME: TRANS-9-HEXADECENOIC ACID TRIMETHYLSILYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H38O2Si CH$EXACT_MASS: 326.26411 CH$SMILES: CCCCCCC=CCCCCCCCC(=O)O[Si](C)(C)C CH$IUPAC: InChI=1S/C19H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h10-11H,5-9,12-18H2,1-4H3/b11-10+
AC$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: splash10-00or-9400000000-b1ee438aa05e5f425da0 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 43 17.2 172 45 13.2 132 54 13.8 138 55 6.67 67 56 11.1 111 67 28.4 284 68 11.5 115 69 2.81 28 73 79.6 796 74 14.2 142 75 97.6 976 79 1.49 15 81 20 200 82 21 210 83 23.3 233 84 2.2 22 93 11.5 115 95 24.7 247 96 25 250 97 1.69 17 98 22.3 223 109 10.8 108 110 12.8 128 117 99.99 999 129 66.4 664 131 16.7 167 132 12.8 128 145 2.16 22 311 19.3 193 312 7.1 71 //