MassBank Record: MSBNK-RIKEN-PR010024
ACCESSION: MSBNK-RIKEN-PR010024
RECORD_TITLE: Pyridoxamine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
CH$NAME: Pyridoxamine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C8H12N2O2
CH$EXACT_MASS: 168.08988
CH$SMILES: OCc(c1)c(CN)c(O)c(C)n1
CH$IUPAC: InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
CH$LINK: CAS
524-36-7
CH$LINK: NIKKAJI
J243.972G
CH$LINK: INCHIKEY
NHZMQXZHNVQTQA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6046929
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 1934.7
AC$CHROMATOGRAPHY: RETENTION_TIME 470.287 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C17H36N2O2Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 384.20846
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9350000000-3b1415672e7ab22d5e64
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
60 7 7
61 9 9
62 1 1
63 3 3
64 1 1
65 6 6
66 4 4
67 3 3
69 1 1
70 5 5
71 4 4
72 16 16
73 999 999
74 126 126
75 93 93
76 10 10
77 20 20
78 5 5
79 14 14
80 3 3
81 1 1
82 1 1
83 6 6
84 5 5
85 4 4
86 5 5
87 2 2
88 1 1
89 3 3
90 1 1
91 5 5
92 3 3
93 3 3
94 4 4
95 3 3
96 1 1
97 4 4
98 2 2
99 2 2
100 6 6
101 1 1
102 13 13
103 6 6
104 7 7
105 5 5
106 10 10
107 3 3
108 2 2
109 3 3
110 2 2
111 2 2
112 1 1
113 2 2
114 1 1
115 4 4
116 3 3
117 6 6
118 5 5
119 6 6
120 6 6
121 4 4
122 3 3
123 3 3
124 3 3
125 1 1
129 1 1
130 21 21
131 22 22
132 15 15
133 24 24
134 7 7
135 4 4
136 4 4
137 2 2
138 2 2
143 1 1
144 1 1
145 2 2
146 33 33
147 70 70
148 18 18
149 20 20
150 7 7
151 2 2
152 2 2
158 1 1
160 2 2
161 1 1
162 5 5
163 3 3
164 9 9
165 3 3
166 3 3
167 1 1
172 3 3
173 1 1
174 1 1
175 2 2
176 5 5
177 4 4
178 12 12
179 6 6
180 11 11
181 2 2
182 1 1
188 1 1
189 3 3
190 7 7
191 5 5
192 14 14
193 9 9
194 11 11
195 4 4
196 2 2
203 1 1
204 8 8
205 76 76
206 30 30
207 28 28
208 11 11
209 3 3
210 1 1
219 2 2
220 4 4
221 42 42
222 11 11
223 4 4
224 1 1
235 1 1
236 2 2
237 1 1
238 1 1
249 1 1
250 5 5
251 5 5
252 11 11
253 4 4
254 1 1
263 1 1
264 3 3
265 4 4
266 2 2
267 1 1
268 2 2
278 1 1
279 24 24
280 286 286
281 79 79
282 31 31
283 5 5
284 2 2
293 10 10
294 31 31
295 103 103
296 28 28
297 10 10
298 2 2
369 11 11
370 3 3
371 1 1
//
system version 2.2.8-SNAPSHOT