MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000591
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000591
RECORD_TITLE: 4-METHYLBENZOIC 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$NAME: 4-METHYLBENZOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O2Si
CH$EXACT_MASS: 208.09196
CH$SMILES: Cc(c1)ccc(c1)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C11H16O2Si/c1-9-5-7-10(8-6-9)11(12)13-14(2,3)4/h5-8H,1-4H3
CH$LINK: INCHIKEY
GKODXEXJNJLBCA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10508188
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$SPLASH: splash10-014m-5900000000-89136479ed34b21c62a5
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
43 10.2 102
44 27.4 274
45 24.5 245
47 1.42 14
63 12.5 125
65 48 480
89 13.1 131
91 6.91 69
92 13.1 131
93 13.1 131
96 13.7 137
119 99.99 999
120 13.7 137
141 13.1 131
149 89.7 897
150 1.48 15
193 66.8 668
194 13.7 137
208 13.1 131
//