MassBank Record: PR010150



 DL-2,3-Diaminopropionic acid; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010150
RECORD_TITLE: DL-2,3-Diaminopropionic acid; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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$LINK: CAS 54879-59-5
AC$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: RETENTION_INDEX 1644.2 AC$CHROMATOGRAPHY: RETENTION_TIME 440.191 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C12H32N2O2Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 320.17716 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9800000000-4d65e26046a7af4071a0 PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 60 17 17 61 11 11 62 1 1 63 1 1 66 2 2 69 1 1 70 12 12 71 7 7 72 29 29 73 999 999 74 98 98 75 64 64 76 6 6 77 18 18 78 2 2 79 4 4 83 1 1 84 9 9 85 6 6 86 242 242 87 26 26 88 19 19 89 2 2 98 2 2 99 15 15 100 149 149 101 58 58 102 48 48 103 12 12 104 2 2 105 1 1 113 7 7 114 8 8 115 16 16 116 13 13 117 18 18 118 6 6 119 4 4 120 1 1 128 2 2 129 14 14 130 49 49 131 21 21 132 28 28 133 18 18 134 4 4 135 1 1 141 1 1 142 1 1 143 1 1 144 8 8 145 2 2 146 19 19 147 50 50 148 9 9 149 4 4 157 1 1 158 6 6 159 6 6 160 7 7 161 2 2 162 1 1 171 11 11 172 12 12 173 3 3 174 632 632 175 121 121 176 59 59 177 7 7 178 1 1 186 2 2 187 5 5 188 7 7 189 2 2 190 3 3 191 13 13 192 3 3 193 1 1 203 10 10 204 4 4 205 1 1 218 4 4 219 1 1 220 1 1 243 1 1 246 1 1 248 4 4 249 1 1 259 6 6 260 2 2 261 1 1 275 4 4 276 4 4 277 1 1 290 1 1 291 44 44 292 12 12 293 6 6 294 1 1 349 1 1 //