MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000580
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000580
RECORD_TITLE: PALMITELADIC 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$NAME: PALMITELADIC ACID TRIMETHYLSILYL ESTER
CH$NAME: TRANS-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-ZHACJKMWSA-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$SPLASH: splash10-00or-9400000000-b1ee438aa05e5f425da0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
43 17.2 172
45 13.2 132
54 13.8 138
55 6.67 67
56 11.1 111
67 28.4 284
68 11.5 115
69 2.81 28
73 79.6 796
74 14.2 142
75 97.6 976
79 1.49 15
81 20 200
82 21 210
83 23.3 233
84 2.2 22
93 11.5 115
95 24.7 247
96 25 250
97 1.69 17
98 22.3 223
109 10.8 108
110 12.8 128
117 99.99 999
129 66.4 664
131 16.7 167
132 12.8 128
145 2.16 22
311 19.3 193
312 7.1 71
//
system version 2.2.6-SNAPSHOT