MassBank Record: KZ000268



 Spermine; GC-EI-TOF; MS; x TMS; BP:116 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000268
RECORD_TITLE: Spermine; GC-EI-TOF; MS; x TMS; BP:116
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_P000091

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 2593.7 AC$CHROMATOGRAPHY: RETENTION_TIME 1129.11 sec
MS$FOCUSED_ION: BASE_PEAK 116 MS$FOCUSED_ION: DERIVATIVE_TYPE x TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-014u-1900000000-e9620319823eaecceccc PK$NUM_PEAK: 142 PK$PEAK: m/z int. rel.int. 82 20 20 83 13 13 84 219 219 85 28 28 86 549 549 87 58 58 88 39 39 89 4 4 90 1 1 93 1 1 94 6 6 95 2 2 96 17 17 97 5 5 98 34 34 99 15 15 100 262 262 101 56 56 102 121 121 103 16 16 104 5 5 106 1 1 108 3 3 109 4 4 110 17 17 111 7 7 112 35 35 113 16 16 114 78 78 115 68 68 116 999 999 117 135 135 118 43 43 119 4 4 120 1 1 122 1 1 123 1 1 124 2 2 125 2 2 126 12 12 127 6 6 128 69 69 129 128 128 130 174 174 131 37 37 132 15 15 133 2 2 134 1 1 136 1 1 138 1 1 139 1 1 140 24 24 141 11 11 142 221 221 143 41 41 144 712 712 145 100 100 146 102 102 147 14 14 148 6 6 150 1 1 152 2 2 153 1 1 154 29 29 155 9 9 156 234 234 157 46 46 158 28 28 159 5 5 160 258 258 161 46 46 162 21 21 163 2 2 168 13 13 169 5 5 170 75 75 171 16 16 172 170 170 173 34 34 174 450 450 175 85 85 176 37 37 177 4 4 178 1 1 180 1 1 182 11 11 183 12 12 184 11 11 185 6 6 186 42 42 187 11 11 188 14 14 189 3 3 190 1 1 197 1 1 198 1 1 199 2 2 200 5 5 201 78 78 202 21 21 203 8 8 204 1 1 211 1 1 212 1 1 213 1 1 214 1 1 215 4 4 216 1 1 227 1 1 228 1 1 229 3 3 230 1 1 231 1 1 237 1 1 241 1 1 242 1 1 243 3 3 244 2 2 245 2 2 255 2 2 256 1 1 257 4 4 258 1 1 259 7 7 260 1 1 269 1 1 270 1 1 271 3 3 273 2 2 299 10 10 300 3 3 301 1 1 303 7 7 304 2 2 328 1 1 329 26 26 330 8 8 331 4 4 332 1 1 343 1 1 345 6 6 346 2 2 //

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