MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004535
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004535
RECORD_TITLE: METHYL 4,6-DI-O-METHYLMANNOPYRANOSIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 4,6-DI-O-METHYLMANNOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O6
CH$EXACT_MASS: 222.11034
CH$SMILES: COCC(O1)C(OC)C(O)C(O)C(OC)1
CH$IUPAC: InChI=1S/C9H18O6/c1-12-4-5-8(13-2)6(10)7(11)9(14-3)15-5/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9+/m1/s1
CH$LINK: INCHIKEY
UKSOTSKNRMTYIO-ZEBDFXRSSA-N
AC$INSTRUMENT: SHIMADZU LKB-9000B
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: splash10-00di-9100000000-4c27a89d90f342329fa8
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
40 2.9 29
41 21.2 212
42 7.6 76
43 1.43 14
44 3.7 37
45 97.3 973
46 1.1 11
53 0.24 2
54 0.7 7
55 7.1 71
56 5 50
57 0.99 10
58 12 120
59 21.2 212
60 15.1 151
61 0.87 9
68 1.4 14
69 10.9 109
70 6.1 61
71 99.99 999
72 13 130
73 13.7 137
74 95.5 955
75 3.95 40
76 1.5 15
77 1.2 12
81 2 20
83 0.16 2
84 0.6 6
85 10.1 101
86 2.3 23
87 7.46 75
88 16.3 163
89 5.8 58
97 1.5 15
98 0.12 1
99 9.8 98
100 3.2 32
101 19.5 195
102 2.58 26
103 6.1 61
104 0.7 7
105 1.6 16
111 0.25 3
112 2 20
113 2.2 22
114 0.9 9
115 0.17 2
116 1.9 19
117 3.9 39
118 3.3 33
119 0.22 2
127 3.3 33
129 0.9 9
130 2.4 24
131 0.22 2
135 0.5 5
145 2 20
147 1.3 13
149 1.59 16
159 2.9 29
187 0.5 5
191 0.7 7
//