MassBank Record: KZ000250



 N-Acetylputrescine; GC-EI-TOF; MS; 2 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000250
RECORD_TITLE: N-Acetylputrescine; GC-EI-TOF; MS; 2 TMS; BP:174
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_01618_P000065

CH$NAME: N-Acetylputrescine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H14N2O CH$EXACT_MASS: 130.11061 CH$SMILES: NCCCCNC(C)=O CH$IUPAC: InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9) CH$LINK: CAS 18233-70-0 CH$LINK: KEGG C02714 CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596
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 1736.9 AC$CHROMATOGRAPHY: RETENTION_TIME 809.062 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-2900000000-5ce6ea5fec8a535152b1 PK$NUM_PEAK: 137 PK$PEAK: m/z int. rel.int. 82 26 26 83 14 14 84 494 494 85 60 60 86 488 488 87 59 59 88 28 28 89 6 6 90 2 2 92 2 2 93 1 1 94 5 5 95 3 3 96 24 24 97 10 10 98 28 28 99 55 55 100 309 309 101 70 70 102 189 189 103 31 31 104 9 9 105 3 3 109 4 4 110 6 6 111 4 4 112 31 31 113 24 24 114 55 55 115 35 35 116 140 140 117 92 92 118 18 18 119 12 12 120 2 2 121 3 3 122 1 1 123 1 1 124 5 5 125 2 2 126 29 29 127 7 7 128 130 130 129 56 56 130 133 133 131 85 85 132 38 38 133 94 94 134 15 15 135 7 7 136 1 1 138 1 1 139 2 2 140 15 15 141 8 8 142 154 154 143 33 33 144 135 135 145 31 31 146 100 100 147 183 183 148 36 36 149 15 15 150 3 3 151 1 1 152 1 1 153 1 1 154 2 2 155 2 2 156 18 18 157 9 9 158 70 70 159 315 315 160 51 51 161 17 17 162 2 2 163 1 1 167 1 1 168 4 4 169 4 4 170 19 19 171 6 6 172 124 124 173 32 32 174 999 999 175 183 183 176 85 85 177 10 10 178 2 2 183 62 62 184 23 23 185 12 12 186 85 85 187 18 18 188 10 10 189 2 2 190 14 14 191 3 3 192 1 1 198 2 2 199 1 1 200 104 104 201 93 93 202 31 31 203 15 15 204 5 5 205 1 1 213 7 7 214 25 25 215 6 6 216 21 21 217 5 5 218 3 3 220 1 1 230 3 3 231 1 1 241 1 1 242 1 1 243 11 11 244 2 2 245 4 4 246 1 1 248 11 11 249 3 3 250 1 1 259 2 2 273 24 24 274 6 6 275 2 2 330 3 3 331 51 51 332 16 16 333 7 7 334 1 1 346 10 10 347 3 3 348 1 1 //

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