MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011452
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011452
RECORD_TITLE: B-D-GALACTOSE PENTAACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: B-D-GALACTOSE PENTAACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22O11
CH$EXACT_MASS: 390.11621
CH$SMILES: CC(=O)OCC(O1)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)1
CH$IUPAC: InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16-/m1/s1
CH$LINK: INCHIKEY
LPTITAGPBXDDGR-LYYZXLFJSA-N
CH$LINK: COMPTOX
DTXSID20883736
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-6930000000-eaaf976fb6e9844998a4
PK$NUM_PEAK: 154
PK$PEAK: m/z int. rel.int.
39 3.24 32
40 7.38 74
41 19 190
42 1.09 11
43 73.81 738
44 60.16 602
45 9.33 93
48 1.48 15
53 2.78 28
54 2.48 25
55 17.96 180
56 7.42 74
57 28.58 286
58 1.69 17
59 1.21 12
60 9.43 94
61 8.17 82
67 5.02 50
68 7.11 71
69 40.09 401
70 16.21 162
71 18.7 187
72 1.4 14
73 30.37 304
74 3.48 35
76 1.59 16
77 1.18 12
78 4.82 48
79 1.66 17
80 7.38 74
81 36.38 364
82 8.46 85
83 10.43 104
84 7.98 80
85 20.51 205
86 12.51 125
87 2.46 25
88 1.41 14
89 1.7 17
91 2.29 23
93 3.56 36
94 10.07 101
95 7.85 79
96 5.25 53
97 29.95 300
98 71.92 719
99 19.59 196
100 2.29 23
101 8.95 90
102 10.29 103
103 57.2 572
104 5.46 55
105 1.86 19
107 7.76 78
108 1.84 18
109 20.31 203
110 4.59 46
111 6.21 62
112 12.03 120
113 11.58 116
114 14.86 149
115 79.99 800
116 16.26 163
117 2.33 23
119 1.09 11
121 3.53 35
122 2.3 23
123 4.54 45
124 1.57 16
125 5.57 56
126 22.18 222
127 22.62 226
128 5.12 51
129 4.4 44
131 7.25 73
132 1.23 12
133 1.57 16
135 2.44 24
136 5.15 52
137 5.8 58
138 2.41 24
139 13.93 139
140 53.16 532
141 10.39 104
142 1.57 16
143 26.94 269
144 6.49 65
145 57.53 575
146 4.76 48
147 1.92 19
149 30.73 307
150 4.28 43
151 1.57 16
152 1.01 10
153 1.87 19
154 1.01 10
155 8.33 83
156 3.26 33
157 84.86 849
158 44.98 450
159 4.98 50
161 1.81 18
163 1.17 12
167 16.57 166
168 25.49 255
169 34.3 343
170 4.08 41
171 2.27 23
173 1.78 18
175 1.62 16
182 10.1 101
183 1.93 19
185 3.94 39
186 5.72 57
187 4.7 47
191 1.41 14
192 1.41 14
196 1.7 17
197 5.57 56
199 20.08 201
200 57.86 579
201 8.48 85
202 1.27 13
203 11.73 117
204 1.46 15
210 10.6 106
211 8.5 85
212 1.19 12
213 1.19 12
215 5.16 52
217 3.27 33
224 1.42 14
228 12.51 125
229 5.69 57
242 99.99 999
243 25.1 251
244 3.8 38
245 30.73 307
246 5.31 53
247 1.1 11
256 4.23 42
257 1.18 12
259 0.99 10
270 2.92 29
279 13.15 132
280 3.33 33
287 1.68 17
288 4.96 50
289 1.4 14
327 1.39 14
331 22.09 221
341 1.19 12
368 1.34 13
386 1.44 14
//