MassBank Record: KZ000172



 DL-2,3-Diaminopropionic acid; GC-EI-TOF; MS; 3 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000172
RECORD_TITLE: DL-2,3-Diaminopropionic acid; GC-EI-TOF; MS; 3 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_01393_P000138

CH$NAME: 2,3-Diaminopropionic acid CH$NAME: DL-2,3-Diaminopropionic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C3H8N2O2 CH$EXACT_MASS: 104.05858 CH$SMILES: NCC(N)C(O)=O CH$IUPAC: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7) CH$LINK: CAS 515-94-6 CH$LINK: KEGG C06393 CH$LINK: INCHIKEY PECYZEOJVXMISF-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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1625.3 AC$CHROMATOGRAPHY: RETENTION_TIME 759.263 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-2900000000-a95f603459acd4130048 PK$NUM_PEAK: 84 PK$PEAK: m/z int. rel.int. 82 1 1 83 2 2 84 41 41 85 11 11 86 299 299 87 29 29 88 23 23 89 1 1 92 1 1 93 2 2 98 3 3 99 22 22 100 185 185 101 100 100 102 70 70 103 17 17 104 1 1 105 1 1 113 10 10 114 8 8 115 23 23 116 14 14 117 16 16 118 5 5 119 7 7 127 1 1 129 17 17 130 70 70 131 20 20 132 30 30 133 18 18 137 1 1 142 2 2 143 2 2 144 10 10 145 1 1 146 44 44 147 53 53 148 9 9 149 4 4 151 1 1 157 1 1 158 7 7 159 8 8 160 10 10 161 2 2 162 1 1 170 1 1 171 22 22 172 19 19 173 6 6 174 999 999 175 66 66 186 1 1 187 7 7 188 4 4 190 2 2 191 11 11 192 1 1 201 1 1 202 2 2 203 9 9 204 2 2 205 1 1 207 1 1 218 4 4 219 1 1 220 1 1 221 1 1 243 2 2 246 2 2 247 1 1 248 7 7 249 2 2 250 1 1 259 8 8 260 3 3 275 9 9 276 4 4 277 3 3 290 11 11 291 32 32 292 8 8 349 2 2 //

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