MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010699
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010699
RECORD_TITLE: METHYL TRIACETYL-BETA-D-FUCOPYRANOSIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL TRIACETYL-BETA-D-FUCOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20O8
CH$EXACT_MASS: 304.11582
CH$SMILES: CC(=O)OC([H])(C([H])(C)1)C([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(OC)O1
CH$IUPAC: InChI=1S/C13H20O8/c1-6-10(19-7(2)14)11(20-8(3)15)12(21-9(4)16)13(17-5)18-6/h6,10-13H,1-5H3/t6-,10?,11-,12-,13?/m1/s1
CH$LINK: INCHIKEY
RTVWBDNQHISFHI-JEWVQHRJSA-N
AC$INSTRUMENT: HITACHI RMU-6L
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: splash10-0f6x-7900000000-4b4cace5c75bf1e11171
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
40 3 30
41 7 70
42 5 50
43 99.99 999
44 15 150
45 5.5 55
53 3 30
54 0.25 3
55 8.5 85
56 2.5 25
57 13.5 135
58 0.99 10
59 2.5 25
60 6 60
61 7.5 75
67 0.15 2
68 1.2 12
69 5.5 55
70 2.5 25
71 3.85 39
72 6 60
73 6.5 65
74 16 160
75 0.3 3
77 1 10
80 1 10
81 2 20
82 1.4 14
83 38 380
84 6 60
85 8 80
86 0.2 2
87 19 190
88 3 30
93 2.5 25
95 0.15 2
96 12 120
97 3 30
98 2.5 25
99 1.5 15
100 41 410
101 24 240
102 18 180
103 2.9 29
104 2.5 25
110 2 20
111 6 60
112 0.2 2
113 45 450
114 6 60
115 36.5 365
116 0.75 8
117 3.5 35
121 1.5 15
125 5 50
126 0.25 3
127 3 30
128 1.5 15
129 4.5 45
130 0.1 1
131 1.5 15
140 11.5 115
141 3.5 35
142 3 30
143 10 100
144 43 430
145 1.95 20
146 2.5 25
149 4 40
153 2.5 25
156 0.15 2
157 47 470
158 9.5 95
159 2.5 25
184 3.5 35
185 17 170
186 2 20
187 2.5 25
188 0.15 2
200 3.5 35
201 2.5 25
202 1 10
217 0.6 6
218 1.5 15
244 6.5 65
245 1.5 15
262 0.1 1
273 1.5 15
303 0.8 8
//