MassBank Record: KZ000061



 Minoxidil; GC-EI-TOF; MS; x TMS; BP:99 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000061
RECORD_TITLE: Minoxidil; GC-EI-TOF; MS; x TMS; BP:99
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)