MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007264
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007264
RECORD_TITLE: (2S,3R,4S)-3-(TERT-BUTYLDIMETHYLSILYLOXY)-2,4-DIMETHYLHEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (2S,3R,4S)-3-(TERT-BUTYLDIMETHYLSILYLOXY)-2,4-DIMETHYLHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H32O2Si
CH$EXACT_MASS: 260.21716
CH$SMILES: CCC([H])(C)C([H])(O[Si](C)(C)C(C)(C)C)C([H])(C)CO
CH$IUPAC: InChI=1S/C14H32O2Si/c1-9-11(2)13(12(3)10-15)16-17(7,8)14(4,5)6/h11-13,15H,9-10H2,1-8H3/t11-,12-,13+/m0/s1
CH$LINK: INCHIKEY
PRVBIUMEVADSBB-RWMBFGLXSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-5950000000-bc93353d913c3f1b8817
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
41 8.2 82
43 12.3 123
55 3.3 33
56 1.97 20
58 16.4 164
68 2.5 25
69 8.2 82
70 1.23 12
71 2.5 25
73 21.3 213
75 84.8 848
76 0.66 7
81 3.3 33
83 3.3 33
84 2.5 25
89 6.36 64
90 2.5 25
93 4.1 41
95 10.7 107
98 0.57 6
105 14.8 148
110 9 90
111 78.8 788
115 0.25 3
117 4.1 41
119 30.4 304
120 17.2 172
121 0.74 7
131 4.1 41
133 39.4 394
134 15.6 156
135 0.25 3
145 69.7 697
147 4.9 49
148 3.3 33
161 0.82 8
175 3.3 33
185 7.4 74
187 4.1 41
200 0.41 4
201 72.7 727
202 3.3 33
203 99.99 999
204 2.95 30
205 6.6 66
231 13.1 131
//