MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007281
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007281
RECORD_TITLE: (2S,3S)-4-BENZYLOXY-3-METHYLBUTAN-1,2-DIOLISOPROPYLIDENE ACETAL; 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$NAME: (2S,3S)-4-BENZYLOXY-3-METHYLBUTAN-1,2-DIOLISOPROPYLIDENE ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O3
CH$EXACT_MASS: 250.15689
CH$SMILES: c(c2)ccc(c2)COCC([H])(C)C([H])(C1)OC(C)(C)O1
CH$IUPAC: InChI=1S/C15H22O3/c1-12(14-11-17-15(2,3)18-14)9-16-10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-,14-/m1/s1
CH$LINK: INCHIKEY
MHEZVHROAZUHDG-TZMCWYRMSA-N
AC$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: splash10-006x-6910000000-afd90b60ef4f9ee7fde1
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
42 2.1 21
43 2.3 23
55 2.5 25
58 0.83 8
59 5.1 51
69 6.3 63
70 2.8 28
71 0.38 4
72 11.8 118
83 2.8 28
84 5.1 51
85 0.44 4
86 12.7 127
87 5.5 55
91 99.99 999
92 1.4 14
101 17.1 171
103 2.8 28
104 7 70
105 0.99 10
106 6.6 66
107 14 140
108 9.1 91
120 0.38 4
129 5.9 59
133 2.1 21
134 4.7 47
143 0.85 9
144 1.9 19
145 13.3 133
147 2.1 21
148 0.4 4
149 2.3 23
150 7.6 76
159 15.4 154
160 0.23 2
161 3 30
173 2.3 23
174 56.1 561
175 0.91 9
177 2.1 21
191 6.6 66
192 34.1 341
193 0.51 5
235 30.1 301
236 4.9 49
249 0.4 4
251 0.2 2
//
system version 2.2.6-SNAPSHOT