MassBank Record: KZ000014



 Amantadine; GC-EI-TOF; MS; 1 TMS; BP:166 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000014
RECORD_TITLE: Amantadine; GC-EI-TOF; MS; 1 TMS; BP:166
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_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 //

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