MassBank Record: KZ000109



 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: KZ000109
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_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 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)