ACCESSION: MSBNK-Kazusa-KZ000148
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_05046_P000056

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 827.163 sec

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

PK$SPLASH: splash10-0159-0910000000-4979c4d028d2dc931263
PK$NUM_PEAK: 142
PK$PEAK: m/z int. rel.int.
  82 5 5
  83 6 6
  84 57 57
  85 17 17
  86 39 39
  87 16 16
  88 8 8
  89 12 12
  90 18 18
  91 5 5
  92 3 3
  93 6 6
  94 1 1
  95 4 4
  96 3 3
  97 4 4
  98 52 52
  99 20 20
  100 276 276
  101 43 43
  102 37 37
  103 45 45
  104 6 6
  105 7 7
  106 1 1
  107 1 1
  109 1 1
  110 4 4
  111 6 6
  112 5 5
  113 14 14
  114 81 81
  115 103 103
  116 999 999
  117 144 144
  118 62 62
  119 13 13
  120 2 2
  121 1 1
  123 1 1
  124 1 1
  125 29 29
  126 9 9
  127 9 9
  128 51 51
  129 20 20
  130 91 91
  131 141 141
  132 374 374
  133 113 113
  134 32 32
  135 10 10
  136 1 1
  139 3 3
  140 10 10
  141 561 561
  142 97 97
  143 41 41
  144 32 32
  145 6 6
  146 19 19
  147 384 384
  148 74 74
  149 54 54
  150 7 7
  151 3 3
  153 6 6
  154 27 27
  155 4 4
  156 5 5
  157 3 3
  158 10 10
  159 74 74
  160 12 12
  161 5 5
  162 1 1
  163 4 4
  164 1 1
  168 1 1
  169 14 14
  170 5 5
  171 8 8
  172 21 21
  173 6 6
  174 15 15
  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
  188 157 157
  189 43 43
  190 32 32
  191 7 7
  192 2 2
  197 1 1
  198 1 1
  199 5 5
  200 3 3
  201 4 4
  202 75 75
  203 18 18
  204 21 21
  205 6 6
  206 5 5
  207 1 1
  213 41 41
  214 14 14
  215 41 41
  216 25 25
  217 12 12
  218 69 69
  219 16 16
  220 9 9
  221 2 2
  225 1 1
  227 1 1
  228 2 2
  229 6 6
  230 4 4
  231 262 262
  232 62 62
  233 29 29
  234 5 5
  235 1 1
  241 5 5
  242 4 4
  243 23 23
  244 9 9
  245 6 6
  246 1 1
  258 23 23
  259 8 8
  260 3 3
  261 1 1
  262 2 2
  316 4 4
  317 1 1
//