MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007472
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007472
RECORD_TITLE: 5-OXOHEXANOIC 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$NAME: 5-OXOHEXANOIC ACID TRIMETHYLSILYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O3Si
CH$EXACT_MASS: 202.10252
CH$SMILES: CC(=O)CCCC(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C9H18O3Si/c1-8(10)6-5-7-9(11)12-13(2,3)4/h5-7H2,1-4H3
CH$LINK: INCHIKEY
PXSCQEMSXNKQJK-UHFFFAOYSA-N
AC$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: splash10-004m-8900000000-de9151c136c1eac97983
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
42 1.3 13
43 63 630
44 2.9 29
45 1.11 11
47 11.8 118
55 50.2 502
56 1.2 12
57 0.29 3
58 4.5 45
59 2.7 27
61 7.7 77
67 0.15 2
69 5.2 52
71 2.5 25
72 7.7 77
73 5.29 53
74 5.2 52
75 99.99 999
76 7.5 75
77 0.52 5
84 17.1 171
85 5.4 54
97 2.7 27
99 0.22 2
101 2.5 25
112 51.3 513
113 6.3 63
115 1.32 13
116 6.1 61
117 40.8 408
118 4.1 41
119 0.2 2
129 22.9 229
130 5.7 57
131 2.2 22
132 0.91 9
133 1.5 15
143 3.1 31
145 94.9 949
146 1.14 11
147 5 50
159 8.2 82
160 3.4 34
169 0.41 4
186 2.2 22
187 38.3 383
188 3.8 38
189 0.18 2
202 3.8 38
//