MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011148
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011148
RECORD_TITLE: METHYL ALPHA-D-MANNOPYRANOSIDE; 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$NAME: METHYL ALPHA-D-MANNOPYRANOSIDE
CH$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-bee940c955424be19015
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
27 7.8 78
30 2.3 23
33 9.6 96
39 3.3 33
40 1.8 18
41 7.3 73
42 9.3 93
43 21.9 219
44 10.5 105
45 23.9 239
47 1.7 17
53 1.3 13
54 1.8 18
55 9.3 93
56 14.6 146
57 48.7 487
58 3.2 32
59 13.2 132
60 99.99 999
61 49.8 498
62 1.8 18
69 11 110
70 8.7 87
71 31.1 311
72 4.6 46
73 76.7 767
74 96.9 969
75 20.8 208
76 1.1 11
85 12.2 122
86 3.5 35
87 13 130
88 1.5 15
89 1.7 17
91 2.4 24
97 7.2 72
98 12.4 124
99 3.1 31
101 2.1 21
103 6.4 64
104 5.8 58
116 14.1 141
117 1.6 16
121 4.8 48
127 3.1 31
131 5.8 58
133 3.9 39
144 12.3 123
145 10.2 102
163 7.3 73
//