ACCESSION: MSBNK-RIKEN-PR010172
RECORD_TITLE: L-Asparagine; 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$NAME: L-Asparagine
CH$NAME: 2-Aminosuccinamic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₈N₂O₃
CH$EXACT_MASS: 132.05349
CH$SMILES: NC(=O)C[C@@H](N)C(O)=O
CH$IUPAC: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
CH$LINK: CAS 70-47-3
CH$LINK: CHEBI 17196
CH$LINK: CHEMPDB ASN
CH$LINK: KEGG C00152
CH$LINK: NIKKAJI J9.178B
CH$LINK: PUBCHEM 3452
CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N
CH$LINK: COMPTOX DTXSID10883220

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$CHROMATOGRAPHY: RETENTION_INDEX 1656.3
AC$CHROMATOGRAPHY: RETENTION_TIME 443.082 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C13H32N2O3Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 348.17207
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9710000000-6d0afcbcc003347e598e
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
  60 18 18
  61 28 28
  62 3 3
  63 4 4
  66 9 9
  67 2 2
  69 3 3
  70 25 25
  71 8 8
  72 48 48
  73 999 999
  74 145 145
  75 210 210
  76 23 23
  77 50 50
  78 5 5
  79 13 13
  80 2 2
  82 2 2
  83 3 3
  84 11 11
  85 5 5
  86 14 14
  87 6 6
  88 3 3
  89 4 4
  90 6 6
  91 2 2
  92 1 1
  93 1 1
  96 1 1
  97 1 1
  98 13 13
  99 5 5
  100 102 102
  101 15 15
  102 13 13
  103 12 12
  104 1 1
  105 2 2
  110 1 1
  111 1 1
  112 1 1
  113 3 3
  114 22 22
  115 28 28
  116 337 337
  117 46 46
  118 20 20
  119 5 5
  120 1 1
  125 8 8
  126 2 2
  127 2 2
  128 15 15
  129 6 6
  130 25 25
  131 54 54
  132 151 151
  133 45 45
  134 11 11
  135 3 3
  140 2 2
  141 91 91
  142 17 17
  143 10 10
  144 11 11
  145 2 2
  146 6 6
  147 103 103
  148 18 18
  149 17 17
  150 2 2
  151 1 1
  153 1 1
  154 2 2
  156 1 1
  157 1 1
  158 3 3
  159 26 26
  160 4 4
  161 2 2
  163 1 1
  169 6 6
  170 1 1
  171 1 1
  172 8 8
  173 2 2
  174 6 6
  175 1 1
  176 2 2
  177 1 1
  186 1 1
  188 74 74
  189 15 15
  190 12 12
  191 2 2
  199 2 2
  200 1 1
  201 1 1
  202 24 24
  203 6 6
  204 10 10
  205 2 2
  206 2 2
  213 2 2
  214 2 2
  215 12 12
  216 7 7
  217 4 4
  218 22 22
  219 4 4
  220 2 2
  229 1 1
  230 1 1
  231 96 96
  232 22 22
  233 9 9
  234 1 1
  242 1 1
  243 5 5
  244 2 2
  245 2 2
  258 15 15
  259 4 4
  260 1 1
  262 1 1
  316 2 2
  317 1 1
  333 4 4
  334 1 1
  348 3 3
  349 1 1
//