MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011404
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011404
RECORD_TITLE: 2-METHYL-4-(TRIMETHYLSILYL)METHYL-5-HEXEN-3-ONE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-METHYL-4-(TRIMETHYLSILYL)METHYL-5-HEXEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22OSi
CH$EXACT_MASS: 198.14399
CH$SMILES: C=CC(C(=O)C(C)C)C[Si](C)(C)C
CH$IUPAC: InChI=1S/C11H22OSi/c1-7-10(8-13(4,5)6)11(12)9(2)3/h7,9-10H,1,8H2,2-6H3
CH$LINK: INCHIKEY
IRXDIOWOELNKOQ-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-053r-1900000000-708f21b788415aa9b0ff
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
55 2.8 28
67 4.5 45
71 25.1 251
73 13.6 136
75 4.7 47
91 5.3 53
109 81.1 811
110 8.7 87
117 6.8 68
119 3.2 32
127 4.3 43
129 13.8 138
130 2 20
131 2.9 29
143 2.5 25
145 2.6 26
147 6.2 62
155 6.9 69
157 3.1 31
183 99.99 999
184 18.8 188
185 6.8 68
198 3.3 33
199 55.1 551
200 10.7 107
201 3.1 31
239 2 20
271 6.9 69
//