MassBank Record: MSBNK-Kazusa-KZ000061
ACCESSION: MSBNK-Kazusa-KZ000061
RECORD_TITLE: Minoxidil; GC-EI-TOF; MS; x TMS; BP:99
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01602_P000039
CH$NAME: Minoxidil
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C9H15N5O
CH$EXACT_MASS: 209.12766
CH$SMILES: Nc(c1)[n+1]([O-1])c(N)nc1N(C2)CCCC2
CH$IUPAC: InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
CH$LINK: CAS
38304-91-5
CH$LINK: INCHIKEY
ZFMITUMMTDLWHR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9040685
AC$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: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 2537.7
AC$CHROMATOGRAPHY: RETENTION_TIME 1110.96 sec
MS$FOCUSED_ION: BASE_PEAK 99
MS$FOCUSED_ION: DERIVATIVE_TYPE x TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0002-6953000000-742e0f214f512eecd184
PK$NUM_PEAK: 244
PK$PEAK: m/z int. rel.int.
82 76 76
83 66 66
84 635 635
85 210 210
86 198 198
87 30 30
88 34 34
89 6 6
90 5 5
91 7 7
92 11 11
93 21 21
94 19 19
95 62 62
96 47 47
97 65 65
98 296 296
99 999 999
100 228 228
101 87 87
102 23 23
103 6 6
104 15 15
105 14 14
106 10 10
107 14 14
108 41 41
109 29 29
110 55 55
111 79 79
112 79 79
113 82 82
114 68 68
115 78 78
116 49 49
117 22 22
118 12 12
119 12 12
120 12 12
121 9 9
122 26 26
123 98 98
124 70 70
125 86 86
126 57 57
127 41 41
128 143 143
129 23 23
130 174 174
131 34 34
132 22 22
133 17 17
134 6 6
135 17 17
136 10 10
137 18 18
138 34 34
139 105 105
140 68 68
141 67 67
142 77 77
143 19 19
144 12 12
145 4 4
146 47 47
147 12 12
148 7 7
149 7 7
150 20 20
151 63 63
152 29 29
153 49 49
154 83 83
155 93 93
156 36 36
157 50 50
158 13 13
159 4 4
160 3 3
161 11 11
162 4 4
163 4 4
164 14 14
165 54 54
166 53 53
167 29 29
168 13 13
169 9 9
170 75 75
171 302 302
172 79 79
173 28 28
174 6 6
175 2 2
176 6 6
177 8 8
178 26 26
179 20 20
180 37 37
181 38 38
182 29 29
183 16 16
184 7 7
185 5 5
186 4 4
187 18 18
188 6 6
189 3 3
190 3 3
191 6 6
192 11 11
193 25 25
194 55 55
195 24 24
196 40 40
197 25 25
198 17 17
199 5 5
200 2 2
203 2 2
204 3 3
205 5 5
206 23 23
207 20 20
208 34 34
209 26 26
210 25 25
211 16 16
212 18 18
213 6 6
214 3 3
215 1 1
217 1 1
218 2 2
219 4 4
220 48 48
221 28 28
222 26 26
223 24 24
224 9 9
225 4 4
226 5 5
227 2 2
228 1 1
229 4 4
230 1 1
231 1 1
232 2 2
233 3 3
234 12 12
235 7 7
236 10 10
237 95 95
238 63 63
239 213 213
240 55 55
241 19 19
242 4 4
243 1 1
246 2 2
247 2 2
248 29 29
249 18 18
250 17 17
251 13 13
252 14 14
253 77 77
254 239 239
255 75 75
256 26 26
257 5 5
258 1 1
262 3 3
263 2 2
264 13 13
265 27 27
266 32 32
267 61 61
268 81 81
269 47 47
270 15 15
271 4 4
272 1 1
273 1 1
274 1 1
275 1 1
276 1 1
277 2 2
278 6 6
279 7 7
280 23 23
281 145 145
282 108 108
283 35 35
284 10 10
285 2 2
290 1 1
291 3 3
292 29 29
293 23 23
294 75 75
295 55 55
296 33 33
297 11 11
298 3 3
299 1 1
300 1 1
301 1 1
302 2 2
303 2 2
304 2 2
305 4 4
306 12 12
307 24 24
308 270 270
309 109 109
310 47 47
311 13 13
312 3 3
313 1 1
314 1 1
315 1 1
317 1 1
318 1 1
319 6 6
320 23 23
321 36 36
322 267 267
323 80 80
324 28 28
325 5 5
326 1 1
327 1 1
328 1 1
329 1 1
331 1 1
334 1 1
335 9 9
336 87 87
337 271 271
338 84 84
339 29 29
340 4 4
345 1 1
//