MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011144
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011144
RECORD_TITLE: METHYL ALPHA-D-GLUCOPYRANOSIDE; 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$NAME: METHYL ALPHA-D-GLUCOPYRANOSIDE
CH$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$LINK: INCHIKEY
HOVAGTYPODGVJG-HJPAEZFKSA-N
AC$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: splash10-0229-9000000000-24af86eb2d444a225ac0
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
27 6.8 68
33 7.9 79
34 1.7 17
39 3.1 31
40 29.4 294
41 7 70
42 7.4 74
43 17.8 178
44 29.7 297
45 18.3 183
47 1.3 13
53 1.2 12
54 1.3 13
55 7.8 78
56 12.4 124
57 43.1 431
58 3 30
59 9.2 92
60 99.99 999
61 45.8 458
62 1.7 17
69 10.2 102
70 8.4 84
71 21.3 213
72 3.9 39
73 67.7 677
74 70.7 707
75 13.5 135
81 1.3 13
85 10 100
86 2.8 28
87 9.4 94
88 1.8 18
89 1.5 15
91 2 20
97 7.7 77
98 11.4 114
99 2.8 28
101 1.8 18
103 4.6 46
104 4.9 49
116 11.1 111
117 1.2 12
121 4 40
127 2.1 21
131 5.2 52
133 2.8 28
144 9.1 91
145 7.5 75
163 2.8 28
//
system version 2.2.8-SNAPSHOT