MassBank Record: KZ000269



 Spermine; GC-EI-TOF; MS; x TMS; BP:84 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000269
RECORD_TITLE: Spermine; GC-EI-TOF; MS; x TMS; BP:84
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_01668_P000098

CH$NAME: Spermine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H26N4 CH$EXACT_MASS: 202.21575 CH$SMILES: NCCCNCCCCNCCCN CH$IUPAC: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 CH$LINK: CAS 71-44-3 CH$LINK: KEGG C00750 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781
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 2640.3 AC$CHROMATOGRAPHY: RETENTION_TIME 1143.41 sec
MS$FOCUSED_ION: BASE_PEAK 84 MS$FOCUSED_ION: DERIVATIVE_TYPE x TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00s6-3900000000-d7da5cd1c0be289412ee PK$NUM_PEAK: 134 PK$PEAK: m/z int. rel.int. 82 54 54 83 33 33 84 999 999 85 87 87 86 625 625 87 65 65 88 58 58 89 5 5 90 3 3 94 11 11 95 2 2 96 46 46 97 15 15 98 195 195 99 34 34 100 333 333 101 60 60 102 149 149 103 19 19 104 7 7 105 1 1 106 1 1 107 1 1 108 5 5 109 7 7 110 49 49 111 36 36 112 125 125 113 30 30 114 82 82 115 129 129 116 792 792 117 113 113 118 40 40 119 4 4 120 1 1 121 1 1 122 1 1 124 3 3 125 5 5 126 13 13 127 7 7 128 99 99 129 114 114 130 163 163 131 38 38 132 22 22 133 3 3 134 1 1 138 2 2 139 2 2 140 17 17 141 10 10 142 281 281 143 76 76 144 777 777 145 105 105 146 123 123 147 21 21 148 8 8 150 1 1 152 1 1 153 1 1 154 14 14 155 8 8 156 82 82 157 71 71 158 38 38 159 8 8 160 191 191 161 33 33 162 21 21 163 3 3 164 1 1 168 11 11 169 5 5 170 62 62 171 31 31 172 225 225 173 48 48 174 408 408 175 73 73 176 31 31 177 4 4 183 4 4 184 5 5 185 11 11 186 52 52 187 20 20 188 32 32 189 7 7 190 3 3 197 3 3 198 1 1 199 3 3 200 5 5 201 75 75 202 20 20 203 8 8 204 1 1 211 4 4 212 1 1 213 2 2 214 1 1 215 9 9 216 2 2 217 1 1 227 5 5 228 1 1 229 5 5 230 1 1 231 4 4 241 1 1 244 11 11 245 2 2 255 3 3 256 1 1 257 31 31 258 7 7 259 4 4 260 1 1 271 12 12 272 2 2 273 7 7 274 1 1 301 1 1 302 1 1 303 1 1 329 5 5 330 1 1 345 1 1 372 2 2 373 1 1 388 1 1 //

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