MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000586
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000586
RECORD_TITLE: ERUCIC 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$NAME: ERUCIC ACID TRIMETHYLSILYL ESTER
CH$NAME: CIS-13-DOCOSENOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C25H50O2Si
CH$EXACT_MASS: 410.35801
CH$SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C25H50O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h12-13H,5-11,14-24H2,1-4H3/b13-12-
CH$LINK: INCHIKEY
AYZOMQWLRBJULM-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$SPLASH: splash10-06fr-9300000000-d71844c01bb6ec9f7276
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
53 12.6 126
54 23.5 235
55 99.99 999
56 1.56 16
57 15.6 156
61 10 100
67 35.1 351
68 1.09 11
69 36.5 365
73 91.4 914
75 94.9 949
81 3.53 35
82 20.3 203
83 32.4 324
84 13.2 132
95 2.94 29
96 23.5 235
97 22.7 227
98 17.6 176
109 1.65 17
111 11.5 115
117 86.7 867
129 58.4 584
130 1.06 11
131 13.8 138
132 13.5 135
137 10 100
143 1 10
145 25.9 259
199 10 100
395 20.9 209
396 6.4 64
//