MassBank Record: JP000562



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

ACCESSION: JP000562
RECORD_TITLE: HEPTANOIC 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$NAME: HEPTANOIC ACID TRIMETHYLSILYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H22O2Si CH$EXACT_MASS: 202.13891 CH$SMILES: CCCCCCC(=O)O[Si](C)(C)C CH$IUPAC: InChI=1S/C10H22O2Si/c1-5-6-7-8-9-10(11)12-13(2,3)4/h5-9H2,1-4H3
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$SPLASH: splash10-00bc-9000000000-f037a425ddffce519b23 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 42 8.1 81 43 86.3 863 45 54.8 548 47 1.98 20 49 7.7 77 51 7.1 71 55 21.7 217 56 1.23 12 57 8.4 84 58 13.6 136 59 7.7 77 60 0.97 10 61 7.7 77 68 7.1 71 69 8.7 87 72 1.07 11 73 73.7 737 74 8.4 84 75 99.99 999 76 1 10 77 40.5 405 78 7.7 77 115 6.8 68 117 1.81 18 131 7.4 74 187 17.5 175 //