MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007262
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007262
RECORD_TITLE: (2S,3S)-4-BENZYLOXY-2-METHOXYETHOXYMETHOXY-3-METHYLBUTANOL; 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$NAME: (2S,3S)-4-BENZYLOXY-2-METHOXYETHOXYMETHOXY-3-METHYLBUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H26O5
CH$EXACT_MASS: 298.17802
CH$SMILES: COCCOCOC([H])(CO)C([H])(C)COCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H26O5/c1-14(11-20-12-15-6-4-3-5-7-15)16(10-17)21-13-19-9-8-18-2/h3-7,14,16-17H,8-13H2,1-2H3/t14-,16+/m0/s1
CH$LINK: INCHIKEY
GQRCJVXBMORUOT-GOEBONIOSA-N
AC$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: splash10-0k9l-7910000000-a7633e4cd2d568ba6ec0
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
43 2.5 25
45 14.6 146
47 4.3 43
56 0.31 3
58 7.4 74
59 11.6 116
68 2.2 22
70 0.25 3
71 6 60
73 2.7 27
75 2.5 25
76 0.36 4
77 2.2 22
83 2.3 23
84 13.9 139
85 6.73 67
86 4.5 45
87 14.6 146
89 99.99 999
90 1.1 11
91 60.3 603
92 13 130
98 2.9 29
99 0.22 2
101 25 250
102 9.2 92
103 25.7 257
104 0.96 10
105 13.2 132
106 2.7 27
107 47.2 472
108 2.01 20
114 2.7 27
115 4.2 42
116 3.2 32
118 0.31 3
119 4 40
120 11.6 116
121 9.9 99
122 0.94 9
129 2.9 29
131 14.6 146
132 4.5 45
133 0.27 3
134 2 20
136 3.2 32
143 2.3 23
145 0.27 3
146 1.8 18
147 22.2 222
148 4 40
149 0.23 2
150 8.8 88
159 3.2 32
161 14.6 146
162 0.52 5
163 2.3 23
165 1.8 18
167 37.5 375
168 0.38 4
172 5.2 52
173 2.9 29
174 9.2 92
175 0.51 5
176 4.5 45
177 11.6 116
178 3.4 34
179 1.73 17
180 2 20
189 3.1 31
191 16 160
192 1.08 11
193 2.3 23
207 3.2 32
209 27.1 271
210 0.43 4
222 10.3 103
223 12.6 126
237 3.2 32
267 0.29 3
299 0.5 5
//