MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000588
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000588
RECORD_TITLE: NERVONIC 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$NAME: NERVONIC ACID TRIMETHYLSILYL ESTER
CH$NAME: CIS-15-TETRACOSENOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C27H54O2Si
CH$EXACT_MASS: 438.38931
CH$SMILES: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C27H54O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-30(2,3)4/h12-13H,5-11,14-26H2,1-4H3/b13-12-
CH$LINK: INCHIKEY
OQABBMMAIBXADF-SEYXRHQNSA-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$SPLASH: splash10-06fr-9300000000-1dff2469d31e4d8b09e3
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
54 20.3 203
55 99.99 999
56 15.1 151
57 1.38 14
67 25.9 259
68 16.1 161
69 40.4 404
70 1.18 12
73 88.8 888
75 73.6 736
81 26.6 266
82 1.8 18
83 24.3 243
84 17.7 177
85 10.5 105
95 2.79 28
96 20.7 207
97 24 240
98 19.4 194
109 1.25 13
110 14.4 144
111 16.7 167
117 57.5 575
121 1.21 12
123 11.5 115
129 40.1 401
131 10.1 101
132 1.97 20
145 23.3 233
185 11.5 115
423 16.4 164
424 7.8 78
//