MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006258
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006258
RECORD_TITLE: PYRIDOXINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: PYRIDOXINE
CH$NAME: VITAMIN B6
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11NO3
CH$EXACT_MASS: 169.07389
CH$SMILES: OCc(c1)c(CO)c(O)c(C)n1
CH$IUPAC: InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
CH$LINK: CAS
58-56-0
CH$LINK: INCHIKEY
LXNHXLLTXMVWPM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4023541
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0f6x-9400000000-486db54a30b61c2eb9d4
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
15 2.82 28
26 3.59 36
27 13.83 138
28 20.59 206
29 10.24 102
30 1.2 12
31 14.79 148
32 4.31 43
37 1.39 14
38 5.15 52
39 31.7 317
40 5.07 51
41 8.9 89
42 21.19 212
43 7.57 76
44 0.89 9
50 7.28 73
51 19.99 200
52 13.53 135
53 22.47 225
54 17.63 176
55 7.76 78
56 0.59 6
57 1.01 10
58 0.56 6
61 0.97 10
62 1.63 16
63 4.22 42
64 3.87 39
65 8.02 80
66 6.89 69
67 9.47 95
68 3.8 38
69 2.07 21
70 0.93 9
74 0.94 9
75 0.93 9
76 1.15 12
77 4.81 48
78 3.53 35
79 4.99 50
80 14.11 141
81 18.68 187
82 14.84 148
83 1.56 16
91 2.39 24
92 5.1 51
93 5.12 51
94 99.99 999
95 11.39 114
96 1.2 12
104 1.29 13
105 3.98 40
106 47.78 478
107 10.65 107
108 7.06 71
109 1.75 18
110 2.03 20
120 4.65 47
121 1.89 19
122 24.14 241
123 9.04 90
124 1.65 17
133 5.01 50
134 2.21 22
135 0.77 8
136 9.76 98
137 1.19 12
138 2.09 21
149 0.75 8
150 7.5 75
151 45.73 457
152 4.63 46
153 1.28 13
169 42.64 426
170 4.62 46
171 0.62 6
//