ACCESSION: MSBNK-RIKEN-PR010138
RECORD_TITLE: Amantadine; GC-EI-TOF; MS; 1 TMS; BP:166
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$NAME: Amantadine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₇N
CH$EXACT_MASS: 151.13610
CH$SMILES: NC(C3)(C1)CC(C2)CC(CC23)1
CH$IUPAC: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
CH$LINK: CAS 211-560-2
CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022117

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$CHROMATOGRAPHY: RETENTION_INDEX 1492
AC$CHROMATOGRAPHY: RETENTION_TIME 363.037 sec

MS$FOCUSED_ION: BASE_PEAK 166
MS$FOCUSED_ION: DERIVATIVE_FORM C13H25NSi
MS$FOCUSED_ION: DERIVATIVE_MASS 223.17563
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-01b9-6910000000-e6fd5b29f51169a772e5
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  60 26 26
  61 5 5
  62 3 3
  63 5 5
  64 2 2
  65 39 39
  66 21 21
  67 75 75
  68 3 3
  69 10 10
  70 19 19
  71 13 13
  72 28 28
  73 648 648
  74 104 104
  75 21 21
  76 7 7
  77 95 95
  78 18 18
  79 101 101
  80 25 25
  81 33 33
  82 13 13
  83 16 16
  84 18 18
  85 16 16
  86 10 10
  87 2 2
  88 5 5
  89 2 2
  90 3 3
  91 78 78
  92 14 14
  93 81 81
  94 95 95
  95 22 22
  96 10 10
  97 10 10
  98 25 25
  99 9 9
  100 19 19
  101 3 3
  102 5 5
  103 3 3
  104 7 7
  105 12 12
  106 8 8
  107 20 20
  108 18 18
  109 9 9
  110 14 14
  111 5 5
  112 9 9
  113 11 11
  114 81 81
  115 18 18
  116 5 5
  117 3 3
  118 1 1
  119 3 3
  120 7 7
  121 3 3
  122 3 3
  123 4 4
  124 9 9
  125 4 4
  126 11 11
  127 2 2
  128 7 7
  129 198 198
  130 30 30
  131 10 10
  132 4 4
  133 4 4
  134 11 11
  135 29 29
  136 15 15
  137 3 3
  138 6 6
  139 5 5
  140 7 7
  141 2 2
  142 3 3
  143 1 1
  146 2 2
  147 1 1
  148 10 10
  149 5 5
  150 252 252
  151 49 49
  152 27 27
  153 9 9
  154 10 10
  155 3 3
  156 1 1
  157 1 1
  158 1 1
  159 1 1
  160 1 1
  161 1 1
  162 2 2
  163 1 1
  164 12 12
  165 6 6
  166 999 999
  167 189 189
  168 52 52
  169 6 6
  178 1 1
  179 2 2
  180 47 47
  181 12 12
  182 6 6
  183 1 1
  192 1 1
  194 1 1
  206 2 2
  207 1 1
  208 146 146
  209 28 28
  210 7 7
  222 7 7
  223 177 177
  224 35 35
  225 9 9
  226 1 1
//