MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001087
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001087
RECORD_TITLE: ORTHO-METHOXYBENZOIC 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$NAME: ORTHO-METHOXYBENZOIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRIMETHYLSILYL 2-METHOXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O3Si
CH$EXACT_MASS: 224.08687
CH$SMILES: COc(c1)c(ccc1)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C11H16O3Si/c1-13-10-8-6-5-7-9(10)11(12)14-15(2,3)4/h5-8H,1-4H3
CH$LINK: INCHIKEY
LWBFIZBQVRDUMY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60180094
AC$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: splash10-057i-9830000000-7c5c591325987a581d23
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
43 5.4 54
44 4.8 48
45 22.7 227
47 1.51 15
49 3.7 37
51 5.4 54
59 8.6 86
63 0.54 5
64 11.8 118
73 26.4 264
75 29.7 297
76 0.48 5
77 99.99 999
78 9.7 97
79 9.1 91
91 2.27 23
92 34 340
104 10.2 102
105 25.9 259
106 0.54 5
120 3.7 37
133 4.3 43
134 92.9 929
135 3.18 32
136 41 410
137 5.4 54
147 14.5 145
149 1.29 13
150 5.4 54
165 31.3 313
179 23.2 232
194 1.24 12
209 76.2 762
210 10.8 108
224 23.7 237
225 3.7 37
//