ACCESSION: MSBNK-Kazusa-KZ000172
RECORD_TITLE: DL-2,3-Diaminopropionic acid; GC-EI-TOF; MS; 3 TMS; BP:174
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//