MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011146
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011146
RECORD_TITLE: METHYL BETA-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$NAME: METHYL BETA-D-GLUCOPYRANOSIDE
CH$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: splash10-03k9-9000000000-9886dc1918786bdc64de
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
27 6.2 62
30 1.6 16
33 8.1 81
39 2.9 29
40 2 20
41 6.1 61
42 8.3 83
43 16.4 164
44 7.4 74
45 16.1 161
47 1.7 17
54 1.4 14
55 7.9 79
56 14.5 145
57 46.7 467
58 2.9 29
59 6.9 69
60 99.99 999
61 41.9 419
62 1.6 16
69 8.4 84
70 7.7 77
71 24.4 244
72 3.3 33
73 63.1 631
74 50.1 501
75 13.2 132
85 5.9 59
86 2.7 27
87 6.6 66
89 1.4 14
97 6.1 61
98 9.7 97
99 2.3 23
101 1.1 11
103 4.7 47
104 4.5 45
116 9.3 93
121 3.8 38
131 7.6 76
133 2.6 26
144 8.8 88
145 2.8 28
163 4.5 45
//
system version 2.2.8-SNAPSHOT