MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011150
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011150
RECORD_TITLE: METHYL ALPHA-D-TALOPYRANOSIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL ALPHA-D-TALOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O6
CH$EXACT_MASS: 194.07904
CH$SMILES: OCC([H])(O1)C([H])(O)C([H])(O)C([H])(O)C([H])(OC)1
CH$IUPAC: InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4?,5-,6+,7?/m1/s1
CH$LINK: INCHIKEY
HOVAGTYPODGVJG-WMYZWQRYSA-N
AC$INSTRUMENT: JEOL JMS-DX-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: splash10-0229-9100000000-cb173d574fe58b66fd7e
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
26 1.2 12
27 10.2 102
30 3.7 37
33 10 100
34 2.1 21
39 4.3 43
40 6.7 67
41 9.2 92
42 12 120
43 23.3 233
44 12.9 129
45 25.2 252
46 5.2 52
47 1.8 18
53 1.7 17
54 1.9 19
55 10.7 107
56 16.9 169
57 57.3 573
58 16.9 169
59 15 150
60 96.3 963
61 89.3 893
62 19.2 192
63 1.5 15
68 1.7 17
69 11.4 114
70 11.3 113
71 36.8 368
72 12.1 121
73 69.2 692
74 99.99 999
75 40.7 407
76 6.9 69
81 1.1 11
85 13.3 133
86 6.5 65
87 25 250
88 8.8 88
89 2.7 27
90 1.4 14
91 4.6 46
92 3.4 34
97 7.8 78
98 11.5 115
99 4.3 43
101 3.1 31
102 1.1 11
103 11.5 115
104 6.9 69
105 2.1 21
115 1.4 14
116 12.4 124
117 6.8 68
118 1.3 13
120 1.2 12
121 4.2 42
122 2.2 22
127 2.4 24
131 2 20
133 9 90
134 4.9 49
135 1 10
144 9.3 93
145 7.3 73
146 2.4 24
163 4 40
164 3.4 34
165 1.3 13
//