ACCESSION: MSBNK-Kazusa-KZ000171
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_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
//