ACCESSION: MSBNK-Kazusa-KZ000109
RECORD_TITLE: Amantadine; GC-EI-TOF; MS; 1 TMS; BP:166
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_05410_P000041

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$LINK: CAS 768-94-5
CH$LINK: KEGG C06818
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 727.613 sec

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

PK$SPLASH: splash10-014i-1910000000-8b7366cc494bf757bb81
PK$NUM_PEAK: 104
PK$PEAK: m/z int. rel.int.
  82 11 11
  83 14 14
  84 18 18
  85 15 15
  86 9 9
  87 2 2
  88 4 4
  89 2 2
  90 2 2
  91 75 75
  92 14 14
  93 78 78
  94 52 52
  95 19 19
  96 9 9
  97 10 10
  98 26 26
  99 9 9
  100 21 21
  101 4 4
  102 4 4
  103 3 3
  104 5 5
  105 12 12
  106 8 8
  107 19 19
  108 16 16
  109 8 8
  110 14 14
  111 5 5
  112 10 10
  113 12 12
  114 79 79
  115 21 21
  116 6 6
  117 3 3
  118 1 1
  119 4 4
  120 8 8
  121 4 4
  122 3 3
  123 4 4
  124 9 9
  125 4 4
  126 11 11
  127 3 3
  128 6 6
  129 149 149
  130 22 22
  131 8 8
  132 4 4
  133 5 5
  134 13 13
  135 25 25
  136 15 15
  137 3 3
  138 7 7
  139 5 5
  140 7 7
  141 3 3
  142 2 2
  143 1 1
  146 2 2
  147 1 1
  148 11 11
  149 6 6
  150 285 285
  151 51 51
  152 30 30
  153 10 10
  154 9 9
  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 2 2
  164 15 15
  165 8 8
  166 999 999
  167 204 204
  168 56 56
  169 7 7
  170 1 1
  178 2 2
  179 2 2
  180 49 49
  181 12 12
  182 6 6
  183 1 1
  192 1 1
  194 1 1
  206 2 2
  207 1 1
  208 118 118
  209 22 22
  210 6 6
  222 4 4
  223 111 111
  224 22 22
  225 6 6
//