MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001897
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001897
RECORD_TITLE: PARA-TOLYLACETIC 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$NAME: PARA-TOLYLACETIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O2Si
CH$EXACT_MASS: 222.10761
CH$SMILES: Cc(c1)ccc(c1)CC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C12H18O2Si/c1-10-5-7-11(8-6-10)9-12(13)14-15(2,3)4/h5-8H,9H2,1-4H3
CH$LINK: INCHIKEY
LXJDXPPJXKOURQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:101624401
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$SPLASH: splash10-00di-9100000000-75dc4d1fbc46b5e88f82
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
43 3.9 39
45 18 180
73 99.99 999
74 0.79 8
75 23.1 231
77 10.9 109
78 3.1 31
79 0.31 3
103 3.1 31
104 2.7 27
105 5.8 58
151 0.39 4
178 10.9 109
179 4.7 47
207 7 70
222 2.7 27
//
system version 2.2.6-SNAPSHOT