MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000579
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000579
RECORD_TITLE: PALMITOLEIC 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$NAME: PALMITOLEIC ACID TRIMETHYLSILYL ESTER
CH$NAME: CIS-9-HEXADECENOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H38O2Si
CH$EXACT_MASS: 326.26411
CH$SMILES: CCCCCCC=CCCCCCCCC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C19H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h10-11H,5-9,12-18H2,1-4H3/b11-10-
CH$LINK: INCHIKEY
UNUADFKHVGBUHA-KHPPLWFESA-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$SPLASH: splash10-05xs-9200000000-e82fa2b582d736406293
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
43 13.8 138
55 50.8 508
57 12.5 125
67 2.34 23
69 22.1 221
73 74.6 746
74 10.4 104
75 99.99 999
79 11.2 112
81 17 170
82 14.4 144
83 1.02 10
84 20 200
95 17.2 172
96 29.3 293
97 1.61 16
98 16.8 168
110 14.2 142
117 57.2 572
129 4.25 43
131 10.6 106
132 15.3 153
145 24.2 242
152 1.06 11
194 10.4 104
311 25.5 255
312 7.2 72
//
system version 2.2.6-SNAPSHOT