ACCESSION: MSBNK-Kazusa-KZ000041
RECORD_TITLE: L-Asparagine; GC-EI-TOF; MS; 3 TMS; BP:116
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_01550_P000214

CH$NAME: L-Asparagine
CH$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: KEGG C00152
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1770.9
AC$CHROMATOGRAPHY: RETENTION_TIME 827.663 sec

MS$FOCUSED_ION: BASE_PEAK 116
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0159-0910000000-bedf57998656ab5ebc16
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  82 5 5
  83 6 6
  84 65 65
  85 18 18
  86 42 42
  87 16 16
  88 8 8
  89 11 11
  90 17 17
  91 5 5
  92 3 3
  93 4 4
  94 1 1
  95 3 3
  96 3 3
  97 4 4
  98 51 51
  99 19 19
  100 280 280
  101 40 40
  102 32 32
  103 39 39
  104 5 5
  105 6 6
  106 1 1
  110 4 4
  111 5 5
  112 4 4
  113 10 10
  114 65 65
  115 100 100
  116 999 999
  117 132 132
  118 52 52
  119 11 11
  120 2 2
  121 1 1
  123 1 1
  124 1 1
  125 26 26
  126 8 8
  127 9 9
  128 52 52
  129 22 22
  130 106 106
  131 164 164
  132 439 439
  133 118 118
  134 30 30
  135 8 8
  136 1 1
  139 3 3
  140 10 10
  141 491 491
  142 87 87
  143 40 40
  144 40 40
  145 7 7
  146 23 23
  147 440 440
  148 79 79
  149 59 59
  150 7 7
  151 3 3
  153 6 6
  154 37 37
  155 5 5
  156 6 6
  157 4 4
  158 12 12
  159 85 85
  160 14 14
  161 6 6
  162 1 1
  163 4 4
  164 1 1
  168 1 1
  169 17 17
  170 5 5
  171 6 6
  172 24 24
  173 7 7
  174 17 17
  175 4 4
  176 4 4
  177 2 2
  178 1 1
  183 1 1
  184 2 2
  185 1 1
  186 2 2
  187 1 1
  188 221 221
  189 49 49
  190 37 37
  191 7 7
  192 2 2
  197 1 1
  198 1 1
  199 7 7
  200 4 4
  201 5 5
  202 84 84
  203 21 21
  204 27 27
  205 6 6
  206 5 5
  207 1 1
  208 1 1
  213 15 15
  214 9 9
  215 43 43
  216 27 27
  217 13 13
  218 85 85
  219 17 17
  220 9 9
  221 2 2
  227 1 1
  228 2 2
  229 6 6
  230 5 5
  231 376 376
  232 88 88
  233 36 36
  234 6 6
  235 1 1
  241 4 4
  242 6 6
  243 32 32
  244 13 13
  245 9 9
  246 2 2
  258 47 47
  259 14 14
  260 5 5
  261 1 1
  262 3 3
  263 1 1
  292 1 1
  316 7 7
  317 4 4
  318 1 1
  333 16 16
  334 5 5
  335 2 2
  348 12 12
  349 4 4
  350 1 1
//