ACCESSION: MSBNK-RIKEN-PR010177
RECORD_TITLE: Minoxidil; GC-EI-TOF; MS; n 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$NAME: Minoxidil
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₉H₁₅N₅O
CH$EXACT_MASS: 209.12766
CH$SMILES: Nc(c1)n(=O)c(N)nc1N(C2)CCCC2
CH$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: NIKKAJI J19.522G
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$CHROMATOGRAPHY: RETENTION_INDEX 2255.6
AC$CHROMATOGRAPHY: RETENTION_TIME 563.467 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C{9+3*n}H{15+8*n}N5OSi{n}
MS$FOCUSED_ION: DERIVATIVE_MASS 209.12766+72.03953*n
MS$FOCUSED_ION: DERIVATIVE_TYPE n TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9432000000-6fff92eb2f75daf5b772
PK$NUM_PEAK: 255
PK$PEAK: m/z int. rel.int.
  60 29 29
  61 9 9
  62 2 2
  63 4 4
  64 9 9
  65 7 7
  66 12 12
  67 61 61
  68 5 5
  69 57 57
  70 43 43
  71 72 72
  72 46 46
  73 999 999
  74 175 175
  75 50 50
  76 7 7
  77 21 21
  78 16 16
  79 31 31
  80 14 14
  81 14 14
  82 25 25
  83 22 22
  84 213 213
  85 73 73
  86 68 68
  87 11 11
  88 11 11
  89 1 1
  90 2 2
  91 2 2
  92 5 5
  93 7 7
  94 7 7
  95 22 22
  96 16 16
  97 22 22
  98 103 103
  99 342 342
  100 77 77
  101 28 28
  102 8 8
  103 2 2
  104 5 5
  105 4 4
  106 4 4
  107 4 4
  108 14 14
  109 10 10
  110 18 18
  111 28 28
  112 26 26
  113 30 30
  114 24 24
  115 27 27
  116 17 17
  117 8 8
  118 4 4
  119 4 4
  120 4 4
  121 3 3
  122 9 9
  123 35 35
  124 24 24
  125 29 29
  126 19 19
  127 15 15
  128 51 51
  129 8 8
  130 61 61
  131 11 11
  132 8 8
  133 6 6
  134 2 2
  135 6 6
  136 4 4
  137 7 7
  138 12 12
  139 35 35
  140 25 25
  141 24 24
  142 28 28
  143 7 7
  144 5 5
  145 1 1
  146 16 16
  147 3 3
  148 2 2
  149 3 3
  150 8 8
  151 22 22
  152 11 11
  153 16 16
  154 30 30
  155 35 35
  156 13 13
  157 19 19
  158 5 5
  159 2 2
  160 1 1
  161 4 4
  162 1 1
  163 1 1
  164 5 5
  165 20 20
  166 21 21
  167 11 11
  168 4 4
  169 4 4
  170 28 28
  171 114 114
  172 30 30
  173 11 11
  174 2 2
  175 1 1
  176 2 2
  177 3 3
  178 10 10
  179 7 7
  180 14 14
  181 14 14
  182 10 10
  183 5 5
  184 2 2
  185 2 2
  186 2 2
  187 8 8
  188 2 2
  189 2 2
  190 1 1
  191 1 1
  192 4 4
  193 9 9
  194 21 21
  195 8 8
  196 17 17
  197 11 11
  198 7 7
  199 2 2
  200 1 1
  202 1 1
  203 1 1
  204 1 1
  205 2 2
  206 9 9
  207 5 5
  208 13 13
  209 9 9
  210 10 10
  211 6 6
  212 7 7
  213 2 2
  214 1 1
  218 1 1
  219 2 2
  220 19 19
  221 11 11
  222 11 11
  223 10 10
  224 4 4
  225 2 2
  226 2 2
  227 1 1
  228 1 1
  229 2 2
  230 1 1
  231 1 1
  232 1 1
  233 2 2
  234 5 5
  235 3 3
  236 3 3
  237 40 40
  238 26 26
  239 87 87
  240 21 21
  241 8 8
  242 2 2
  245 1 1
  246 1 1
  247 1 1
  248 13 13
  249 8 8
  250 7 7
  251 5 5
  252 6 6
  253 30 30
  254 104 104
  255 32 32
  256 11 11
  257 2 2
  262 2 2
  263 1 1
  264 5 5
  265 10 10
  266 13 13
  267 23 23
  268 34 34
  269 21 21
  270 6 6
  271 2 2
  272 1 1
  274 1 1
  275 1 1
  276 1 1
  277 1 1
  278 3 3
  279 3 3
  280 9 9
  281 64 64
  282 46 46
  283 16 16
  284 4 4
  285 1 1
  290 1 1
  291 2 2
  292 13 13
  293 8 8
  294 33 33
  295 23 23
  296 15 15
  297 4 4
  298 1 1
  299 1 1
  300 1 1
  302 1 1
  303 1 1
  304 1 1
  305 2 2
  306 5 5
  307 7 7
  308 117 117
  309 47 47
  310 20 20
  311 6 6
  312 2 2
  318 1 1
  319 2 2
  320 9 9
  321 14 14
  322 117 117
  323 34 34
  324 12 12
  325 2 2
  326 1 1
  327 1 1
  329 1 1
  330 1 1
  335 3 3
  336 36 36
  337 120 120
  338 37 37
  339 14 14
  340 2 2
//