MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011149
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011149
RECORD_TITLE: METHYL BETA-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$NAME: METHYL BETA-D-MANNOPYRANOSIDE
CH$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: splash10-03k9-9000000000-6de2a5336a0e608d593f
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
27 8.1 81
30 3.8 38
33 8.3 83
34 3.5 35
39 3.2 32
40 3.2 32
41 6.8 68
42 11.9 119
43 19.5 195
44 14.1 141
45 19 190
46 6.6 66
47 1.8 18
53 1.1 11
54 2.1 21
55 10.8 108
56 18.7 187
57 46.9 469
58 25.6 256
59 8.3 83
60 73.1 731
61 99.99 999
62 43.6 436
63 3.2 32
68 1.1 11
69 9.2 92
70 10.7 107
71 33.1 331
72 10.8 108
73 39.8 398
74 80.9 809
75 56.7 567
76 16.8 168
77 3.4 34
85 6.1 61
86 3.8 38
87 6.9 69
88 5 50
89 1.8 18
90 1 10
97 5.8 58
98 11.9 119
99 5.6 56
100 1.1 11
101 1.2 12
103 4.6 46
104 6.8 68
105 3.3 33
116 7.2 72
117 6.8 68
118 1.7 17
121 2.9 29
122 3 30
131 2.3 23
132 2.8 28
133 3 30
134 2.8 28
135 1.2 12
144 8.8 88
145 8.8 88
146 2.8 28
//
system version 2.2.8-SNAPSHOT