ACCESSION: MSBNK-RIKEN-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$LINK: CAS 54879-59-5
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1644.2
AC$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
//