MassBank Record: OUF00001



 1,3-Diaminopropane; GC-EI-TOF; MS; n TMS; RT:620.432 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00001
RECORD_TITLE: 1,3-Diaminopropane; GC-EI-TOF; MS; n TMS; RT:620.432 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: 1,3-Propanediamine CH$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$LINK: CHEBI 15725 CH$LINK: CHEMSPIDER 415 CH$LINK: KEGG C00986 CH$LINK: PUBCHEM 428 CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min) AC$CHROMATOGRAPHY: RETENTION_INDEX 1641.217 AC$CHROMATOGRAPHY: RETENTION_TIME 620.432 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-00di-1900000000-380b075ca78246d55dc0 PK$NUM_PEAK: 73 PK$PEAK: m/z int. rel.int. 85 25 25 86 645 645 87 69 69 88 42 42 89 3 3 97 2 2 98 14 14 99 11 11 100 333 333 101 55 55 102 55 55 103 14 14 104 1 1 106 1 1 112 28 28 113 24 24 114 50 50 115 30 30 116 65 65 117 56 56 118 10 10 119 5 5 126 6 6 127 8 8 128 83 83 129 54 54 130 233 233 131 64 64 132 43 43 133 4 4 134 1 1 136 1 1 142 3 3 143 1 1 144 21 21 145 6 6 146 82 82 147 14 14 148 4 4 156 8 8 157 2 2 158 41 41 159 8 8 160 501 501 161 92 92 162 47 47 163 1 1 170 22 22 171 10 10 172 565 565 173 149 149 174 999 999 175 191 191 176 84 84 177 9 9 184 1 1 185 7 7 186 158 158 187 43 43 188 33 33 189 4 4 190 1 1 200 1 1 201 337 337 202 78 78 203 36 36 204 6 6 215 1 1 216 3 3 259 11 11 275 1 1 347 1 1 404 1 1 //