MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010703
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010703
RECORD_TITLE: METHYL TRIACETYL-ALPHA-L-RHAMNOPYRANOSIDE; 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$NAME: METHYL TRIACETYL-ALPHA-L-RHAMNOPYRANOSIDE
CH$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?/m0/s1
CH$LINK: INCHIKEY
RTVWBDNQHISFHI-WBLBWYBMSA-N
AC$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: splash10-0ktf-6900000000-5ddff878a628c25be041
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
41 6 60
42 5 50
43 99.99 999
44 1.2 12
45 13 130
47 6 60
48 3 30
49 0.2 2
50 1 10
53 2.3 23
54 1.5 15
55 0.6 6
56 2 20
57 7 70
58 8 80
59 0.4 4
60 5 50
61 8 80
69 5 50
70 0.3 3
71 31 310
72 4 40
73 10 100
74 4.6 46
75 3 30
81 2 20
82 13 130
83 3.5 35
84 9 90
85 19 190
86 2 20
87 3.4 34
88 3 30
89 1.5 15
95 1 10
96 1.3 13
97 3 30
98 5 50
99 26 260
100 2.8 28
101 10 100
102 43 430
103 28 280
104 0.2 2
110 2 20
111 18 180
112 2.5 25
113 2.8 28
114 4 40
115 61 610
116 21 210
117 0.5 5
118 1 10
120 1 10
125 3.5 35
126 0.8 8
127 4.3 43
128 1.8 18
129 12 120
130 0.12 1
131 1 10
140 16 160
141 3 30
142 2.5 25
143 7 70
144 26 260
145 12 120
146 0.13 1
153 15 150
156 1.8 18
157 84 840
158 1.2 12
159 2.5 25
171 4 40
172 0.8 8
184 3.7 37
185 19 190
186 2.3 23
187 2.5 25
188 0.1 1
200 3 30
201 2.5 25
202 0.8 8
212 0.1 1
213 1.5 15
217 2.5 25
244 2.7 27
245 0.08 1
273 10 100
274 1.5 15
//