ACCESSION: MSBNK-Kazusa-KZ000014
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_01434_P000159

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 1577.4
AC$CHROMATOGRAPHY: RETENTION_TIME 735.262 sec

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

PK$SPLASH: splash10-014i-1910000000-c4908efe87e5cdf2ba74
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  82 13 13
  83 14 14
  84 17 17
  85 14 14
  86 9 9
  87 2 2
  88 5 5
  89 2 2
  90 2 2
  91 77 77
  92 16 16
  93 78 78
  94 113 113
  95 24 24
  96 9 9
  97 9 9
  98 23 23
  99 8 8
  100 18 18
  101 3 3
  102 4 4
  103 3 3
  104 5 5
  105 11 11
  106 8 8
  107 18 18
  108 17 17
  109 8 8
  110 13 13
  111 4 4
  112 8 8
  113 10 10
  114 67 67
  115 16 16
  116 4 4
  117 2 2
  118 1 1
  119 3 3
  120 7 7
  121 3 3
  122 3 3
  123 4 4
  124 8 8
  125 4 4
  126 10 10
  127 2 2
  128 6 6
  129 144 144
  130 22 22
  131 7 7
  132 3 3
  133 3 3
  134 10 10
  135 22 22
  136 11 11
  137 2 2
  138 4 4
  139 3 3
  140 5 5
  141 2 2
  142 2 2
  143 1 1
  146 2 2
  147 1 1
  148 9 9
  149 5 5
  150 221 221
  151 49 49
  152 23 23
  153 7 7
  154 7 7
  155 2 2
  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 14 14
  165 7 7
  166 999 999
  167 185 185
  168 46 46
  169 5 5
  178 1 1
  179 2 2
  180 48 48
  181 12 12
  182 7 7
  183 1 1
  192 1 1
  194 1 1
  206 2 2
  207 1 1
  208 135 135
  209 26 26
  210 7 7
  222 6 6
  223 151 151
  224 30 30
  225 7 7
//