MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007258
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007258
RECORD_TITLE: (3S,4R,5S)-4-(TERT-BUTYLDIMETHYLSILYLOXY)-3,5-DIMETHYL-1-HEPTYNE; 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$NAME: (3S,4R,5S)-4-(TERT-BUTYLDIMETHYLSILYLOXY)-3,5-DIMETHYL-1-HEPTYNE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30OSi
CH$EXACT_MASS: 254.20659
CH$SMILES: CCC([H])(C)C([H])(C([H])(C)C#C)O[Si](C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C15H30OSi/c1-10-12(3)14(13(4)11-2)16-17(8,9)15(5,6)7/h1,12-14H,11H2,2-9H3/t12-,13-,14-/m0/s1
CH$LINK: INCHIKEY
KGBRESJDKNPUOY-IHRRRGAJSA-N
AC$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 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9710000000-80210fdd8c519cbe74ee
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
39 2.6 26
40 2.6 26
41 6.1 61
42 0.46 5
43 97 970
44 2.8 28
55 2.8 28
56 0.33 3
57 4.4 44
58 36.4 364
59 4.4 44
69 0.49 5
73 92.9 929
74 8.2 82
75 67.7 677
76 0.36 4
77 2.6 26
83 11.5 115
84 2.3 23
85 0.23 2
89 5.4 54
99 3.1 31
111 29.3 293
112 0.38 4
113 3.6 36
115 57.6 576
116 1.8 18
121 0.41 4
123 4.9 49
125 1.8 18
127 2 20
139 0.28 3
141 99.99 999
142 12.5 125
143 12 120
145 1.92 19
146 2 20
153 1.8 18
155 4.4 44
159 0.31 3
183 2.8 28
197 37.4 374
198 5.9 59
199 0.2 2
200 2 20
201 58.6 586
202 8.4 84
203 2.6 26
//