MassBank Record: KZ000171



 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: KZ000171
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_P000135

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 1604.9 AC$CHROMATOGRAPHY: RETENTION_TIME 749.413 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dr-2900000000-b3b8bb38b339abe59aad PK$NUM_PEAK: 81 PK$PEAK: m/z int. rel.int. 82 1 1 83 2 2 84 24 24 85 14 14 86 550 550 87 81 81 88 45 45 89 6 6 90 2 2 91 1 1 92 1 1 93 1 1 97 1 1 98 2 2 99 42 42 100 251 251 101 65 65 102 169 169 103 25 25 104 7 7 105 2 2 112 1 1 113 12 12 114 19 19 115 22 22 116 28 28 117 23 23 118 15 15 119 6 6 120 1 1 127 1 1 128 3 3 129 8 8 130 121 121 131 43 43 132 30 30 133 24 24 134 5 5 135 2 2 141 1 1 142 1 1 143 1 1 144 7 7 145 2 2 146 73 73 147 57 57 148 16 16 149 5 5 150 1 1 157 1 1 158 6 6 159 3 3 160 7 7 161 2 2 162 1 1 171 6 6 172 13 13 173 7 7 174 999 999 175 181 181 176 87 87 177 11 11 178 2 2 187 25 25 188 8 8 189 4 4 190 1 1 203 9 9 204 42 42 205 8 8 206 3 3 215 2 2 216 1 1 219 22 22 220 5 5 221 2 2 248 1 1 277 3 3 278 1 1 291 2 2 305 1 1 //

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