MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001100
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001100
RECORD_TITLE: PARA-METHYLCINNAMIC 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$NAME: PARA-METHYLCINNAMIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL PARA-METHYLCINNAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O2Si
CH$EXACT_MASS: 234.10761
CH$SMILES: Cc(c1)ccc(c1)C=CC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C13H18O2Si/c1-11-5-7-12(8-6-11)9-10-13(14)15-16(2,3)4/h5-10H,1-4H3/b10-9+
CH$LINK: INCHIKEY
FXVQMFXMBNRJBF-MDZDMXLPSA-N
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$SPLASH: splash10-016s-1950000000-6808e4bd4ae4891486cd
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
45 7.5 75
47 8.1 81
73 15.1 151
75 4.06 41
77 9.3 93
91 15.1 151
105 7.5 75
115 4.12 41
117 27.9 279
145 98.2 982
146 6.9 69
149 1.91 19
159 24.4 244
175 80.8 808
176 14.5 145
219 99.99 999
220 18 180
234 32.5 325
//
system version 2.2.6-SNAPSHOT