ACCESSION: MSBNK-RIKEN-PR010149
RECORD_TITLE: DL-2,3-Diaminopropionic acid; GC-EI-TOF; MS; 2 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$CHROMATOGRAPHY: RETENTION_INDEX 1399
AC$CHROMATOGRAPHY: RETENTION_TIME 377.755 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C9H24N2O2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 248.13763
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0fk9-8910000000-a19cd44b47411c17b85b
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  60 18 18
  61 12 12
  62 2 2
  63 1 1
  66 6 6
  67 1 1
  69 1 1
  70 12 12
  71 7 7
  72 42 42
  73 999 999
  74 128 128
  75 95 95
  76 9 9
  77 24 24
  78 2 2
  79 6 6
  82 1 1
  83 1 1
  84 13 13
  85 6 6
  86 48 48
  87 13 13
  88 18 18
  89 4 4
  90 2 2
  92 1 1
  98 2 2
  99 26 26
  100 63 63
  101 174 174
  102 801 801
  103 93 93
  104 32 32
  105 3 3
  113 3 3
  114 10 10
  115 21 21
  116 11 11
  117 8 8
  118 5 5
  119 4 4
  120 1 1
  128 2 2
  129 47 47
  130 17 17
  131 17 17
  132 31 31
  133 22 22
  134 5 5
  135 1 1
  142 1 1
  143 1 1
  144 4 4
  145 1 1
  146 5 5
  147 57 57
  148 13 13
  149 6 6
  158 3 3
  159 7 7
  160 6 6
  161 1 1
  171 3 3
  172 2 2
  173 1 1
  174 4 4
  176 11 11
  177 2 2
  178 1 1
  187 10 10
  188 4 4
  189 1 1
  190 1 1
  191 1 1
  202 1 1
  203 20 20
  204 28 28
  205 6 6
  206 3 3
  215 1 1
  216 1 1
  218 6 6
  219 10 10
  220 3 3
  221 2 2
  248 7 7
  249 2 2
  250 1 1
  276 3 3
  277 3 3
  278 1 1
  290 1 1
  291 71 71
  292 21 21
  293 10 10
  294 2 2
//