MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011145
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011145
RECORD_TITLE: METHYL ALPHA-D-GALACTOPYRANOSIDE; 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$NAME: METHYL ALPHA-D-GALACTOPYRANOSIDE
CH$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: splash10-0229-9000000000-4a1706d0c1048c7fb2f7
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
27 7.7 77
30 2.2 22
33 9 90
39 3.4 34
40 1.6 16
41 7.1 71
42 8.9 89
43 19.7 197
44 7 70
45 20 200
47 1.6 16
53 1.6 16
54 1.2 12
55 8 80
56 12.2 122
57 51 510
58 3.9 39
59 11.7 117
60 99.99 999
61 43.3 433
62 1.7 17
69 8.9 89
70 7.8 78
71 37.3 373
72 4.2 42
73 73.8 738
74 72 720
75 12 120
85 9.8 98
86 3.8 38
87 10.4 104
88 1.4 14
89 2.4 24
91 9.6 96
97 7.1 71
98 8.4 84
99 2.4 24
101 2.3 23
103 8.8 88
104 3.9 39
116 9.4 94
117 1.8 18
121 3.6 36
127 1.6 16
131 3.5 35
133 6 60
144 6.9 69
145 6.2 62
163 3.1 31
//
system version 2.2.8-SNAPSHOT