MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011929
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011929
RECORD_TITLE: THIAMINE HYDROCHLORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: THIAMINE HYDROCHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18Cl2N4OS
CH$EXACT_MASS: 336.05784
CH$SMILES: N/A
CH$IUPAC: N/A
CH$LINK: CAS
67-03-8
CH$LINK: NIKKAJI
J237.156A
AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-01si-9400000000-9ed62881779e1c1c841a
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
14 1.23 12
15 2.41 24
26 6.35 64
27 12.67 127
28 16.55 166
29 29.81 298
30 4.53 45
31 99.99 999
32 3.12 31
33 1.89 19
35 3.64 36
36 7 70
37 2.35 24
38 3.9 39
39 11.17 112
40 3.22 32
41 5.87 59
42 8.75 88
43 7.4 74
44 1.92 19
45 22.79 228
46 1.49 15
47 2.1 21
49 1.43 14
50 5.76 58
51 9.76 98
52 8.83 88
53 6.91 69
54 3.57 36
55 2.32 23
57 1.92 19
58 9.33 93
59 10.66 107
60 1.16 12
61 1.24 12
63 1.51 15
68 1.15 12
69 6.61 66
70 2.43 24
71 4.66 47
72 1.47 15
80 1.63 16
81 1.86 19
84 1.06 11
85 10.01 100
86 1.77 18
97 1.01 10
98 1.51 15
111 1.06 11
112 60.82 608
113 26.77 268
114 5.35 54
115 2 20
122 12.65 127
123 1.81 18
124 1.14 11
125 2 20
126 1.29 13
138 3.07 31
142 1.01 10
143 36.11 361
144 5.78 58
145 2.52 25
147 1.36 14
148 1.24 12
157 2.44 24
159 1.19 12
161 1.14 11
233 2.55 26
264 2.06 21
//