MassBank Record: KZ000002



 1,3-Diaminopropane; GC-EI-TOF; MS; 4 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000002
RECORD_TITLE: 1,3-Diaminopropane; GC-EI-TOF; MS; 4 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_01380_P000033

CH$NAME: 1,3-Diaminopropane CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C3H10N2 CH$EXACT_MASS: 74.08440 CH$SMILES: NCCCN CH$IUPAC: InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2 CH$LINK: CAS 109-76-2 CH$LINK: KEGG C00986 CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906
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 1576.9 AC$CHROMATOGRAPHY: RETENTION_TIME 731.678 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dr-1900000000-5d8fbabd14e52e72c81e PK$NUM_PEAK: 166 PK$PEAK: m/z int. rel.int. 82 3 3 83 6 6 84 43 43 85 25 25 86 674 674 87 74 74 88 34 34 89 4 4 90 2 2 91 1 1 94 1 1 96 2 2 97 3 3 98 18 18 99 13 13 100 303 303 101 53 53 102 47 47 103 15 15 104 5 5 105 1 1 106 1 1 107 1 1 108 1 1 111 1 1 112 23 23 113 28 28 114 46 46 115 28 28 116 57 57 117 51 51 118 11 11 119 4 4 120 1 1 122 1 1 123 1 1 124 1 1 125 2 2 126 8 8 127 5 5 128 76 76 129 31 31 130 258 258 131 69 69 132 35 35 133 7 7 134 3 3 135 2 2 136 1 1 137 1 1 138 1 1 139 1 1 140 2 2 141 1 1 142 7 7 143 4 4 144 23 23 145 8 8 146 63 63 147 13 13 148 5 5 149 2 2 150 1 1 151 1 1 152 1 1 153 1 1 154 2 2 155 2 2 156 8 8 157 6 6 158 36 36 159 8 8 160 446 446 161 79 79 162 37 37 163 5 5 164 2 2 165 1 1 166 1 1 167 1 1 168 1 1 169 1 1 170 21 21 171 13 13 172 526 526 173 116 116 174 999 999 175 186 186 176 81 81 177 11 11 178 3 3 179 1 1 180 1 1 181 1 1 182 1 1 183 1 1 184 4 4 185 9 9 186 156 156 187 37 37 188 30 30 189 7 7 190 5 5 191 2 2 192 2 2 193 2 2 194 1 1 197 1 1 198 2 2 199 3 3 200 6 6 201 289 289 202 65 65 203 26 26 204 6 6 205 2 2 206 1 1 210 1 1 212 1 1 213 1 1 214 1 1 215 2 2 216 1 1 217 2 2 218 1 1 219 1 1 225 1 1 227 1 1 228 2 2 229 1 1 230 1 1 236 1 1 238 1 1 241 1 1 243 2 2 244 1 1 257 1 1 259 15 15 260 4 4 261 2 2 262 1 1 265 1 1 273 1 1 275 1 1 278 1 1 282 1 1 286 1 1 287 1 1 302 1 1 304 1 1 333 1 1 341 1 1 343 1 1 344 1 1 347 1 1 359 1 1 365 1 1 368 1 1 369 1 1 382 1 1 391 1 1 394 1 1 395 1 1 397 1 1 398 1 1 400 1 1 //

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