MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000576
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000576
RECORD_TITLE: DOCOSANOIC 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$NAME: DOCOSANOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H52O2Si
CH$EXACT_MASS: 412.37366
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C25H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h5-24H2,1-4H3
CH$LINK: INCHIKEY
BJBBFOVJCKMBAL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50334988
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$SPLASH: splash10-05xr-9601000000-732887437f9745216b51
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
43 35.8 358
45 16.6 166
55 30.7 307
56 1.53 15
57 26.9 269
67 15.3 153
69 14.1 141
71 1.66 17
73 99.99 999
74 12.8 128
75 70.5 705
81 1.53 15
83 15.3 153
95 14.1 141
97 15.3 153
98 1.41 14
117 93.5 935
118 14.1 141
129 41 410
131 1.53 15
132 50 500
133 15.3 153
135 28.2 282
145 4.35 44
197 14.1 141
315 6.4 64
396 7.6 76
397 39.7 397
//