MassBank Record: KZ000092



 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: KZ000092
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_05376_P000028

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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 731.213 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-1910000000-a06f00628b2c5d1b00d9 PK$NUM_PEAK: 85 PK$PEAK: m/z int. rel.int. 82 1 1 83 2 2 84 11 11 85 15 15 86 382 382 87 39 39 88 17 17 89 2 2 98 13 13 99 10 10 100 233 233 101 41 41 102 39 39 103 11 11 104 2 2 111 1 1 112 14 14 113 20 20 114 39 39 115 22 22 116 52 52 117 43 43 118 10 10 119 2 2 120 1 1 125 1 1 126 3 3 127 3 3 128 59 59 129 20 20 130 241 241 131 62 62 132 33 33 133 6 6 134 2 2 140 1 1 142 6 6 143 2 2 144 17 17 145 4 4 146 27 27 147 5 5 148 2 2 156 3 3 157 1 1 158 20 20 159 3 3 160 94 94 162 6 6 170 16 16 171 12 12 172 483 483 173 88 88 174 999 999 175 173 173 176 62 62 177 7 7 178 1 1 184 3 3 185 8 8 186 163 163 187 29 29 188 27 27 189 5 5 190 2 2 191 2 2 192 1 1 193 1 1 199 1 1 200 6 6 201 324 324 202 61 61 203 16 16 204 3 3 217 1 1 243 1 1 244 1 1 257 1 1 259 31 31 260 7 7 261 4 4 273 3 3 287 1 1 347 2 2 362 1 1 //

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