MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011151
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011151
RECORD_TITLE: METHYL BETA-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$NAME: METHYL BETA-D-TALOPYRANOSIDE
CH$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: splash10-03k9-9000000000-669479bc1c5777c47bc4
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
26 1.3 13
27 8.2 82
30 4.6 46
33 8.1 81
34 5.1 51
39 3.3 33
40 7 70
41 6.9 69
42 12.2 122
43 20 200
44 14.7 147
45 21.8 218
46 8.9 89
47 2.8 28
48 1 10
53 1 10
54 2.1 21
55 10.5 105
56 19 190
57 50.1 501
58 39.6 396
59 11 110
60 65.7 657
61 99.99 999
62 67 670
63 4.8 48
68 1.4 14
69 8.2 82
70 9.9 99
71 34.7 347
72 22.3 223
73 36.3 363
74 92.4 924
75 78.8 788
76 19.2 192
77 4.1 41
81 1 10
85 6.7 67
86 4.7 47
87 20.3 203
88 18.4 184
89 3.7 37
90 1.7 17
91 1.6 16
92 1.1 11
97 5.7 57
98 10.4 104
99 4.9 49
100 1 10
101 1.7 17
102 1.6 16
103 10 100
104 7.9 79
105 4.1 41
116 5.1 51
117 8.1 81
118 3.6 36
121 2.4 24
122 3 30
123 1.3 13
131 1.1 11
132 1.8 18
133 3.9 39
134 5.4 54
135 2.8 28
144 4.8 48
145 5.7 57
146 1.7 17
//
system version 2.2.8-SNAPSHOT