ACCESSION: MSBNK-RIKEN-PR010058
RECORD_TITLE: L-Glutamic 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$NAME: L-Glutamic acid
CH$NAME: L-Glutamate
CH$NAME: L-Glutaminic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₉NO₄
CH$EXACT_MASS: 147.05316
CH$SMILES: OC(=O)CC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
CH$LINK: CAS 56-86-0
CH$LINK: CHEBI 16015
CH$LINK: CHEMPDB GLU
CH$LINK: KEGG C00025
CH$LINK: NIKKAJI J9.171E
CH$LINK: PUBCHEM 3327
CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N
CH$LINK: COMPTOX DTXSID5020659

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$CHROMATOGRAPHY: RETENTION_INDEX 1607.8
AC$CHROMATOGRAPHY: RETENTION_TIME 398.56 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C14H33NO4Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 363.17174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00dj-9630000000-1ecc76aab86283892139
PK$NUM_PEAK: 141
PK$PEAK: m/z int. rel.int.
  60 16 16
  61 27 27
  62 2 2
  63 3 3
  65 1 1
  66 13 13
  67 3 3
  69 1 1
  70 9 9
  71 6 6
  72 35 35
  73 999 999
  74 100 100
  75 246 246
  76 24 24
  77 45 45
  78 3 3
  79 8 8
  80 1 1
  82 6 6
  83 8 8
  84 213 213
  85 21 21
  86 12 12
  87 6 6
  88 3 3
  89 5 5
  90 1 1
  91 1 1
  92 1 1
  93 2 2
  94 1 1
  95 3 3
  96 2 2
  97 2 2
  98 9 9
  99 8 8
  100 82 82
  101 17 17
  102 9 9
  103 13 13
  104 2 2
  105 3 3
  110 2 2
  111 1 1
  112 11 11
  113 13 13
  114 20 20
  115 18 18
  116 8 8
  117 15 15
  118 3 3
  119 5 5
  126 2 2
  127 1 1
  128 281 281
  129 57 57
  130 23 23
  131 24 24
  132 16 16
  133 48 48
  134 8 8
  135 5 5
  140 26 26
  141 4 4
  142 3 3
  143 3 3
  144 3 3
  145 2 2
  146 2 2
  147 177 177
  148 34 34
  149 41 41
  150 5 5
  151 2 2
  154 2 2
  155 3 3
  156 157 157
  157 27 27
  158 29 29
  159 5 5
  160 2 2
  161 1 1
  162 1 1
  163 2 2
  168 1 1
  170 1 1
  172 3 3
  173 2 2
  174 10 10
  175 2 2
  176 1 1
  177 1 1
  184 1 1
  186 3 3
  187 1 1
  188 2 2
  189 2 2
  190 1 1
  191 1 1
  198 1 1
  202 5 5
  203 4 4
  204 19 19
  205 4 4
  206 2 2
  214 6 6
  215 1 1
  216 3 3
  217 1 1
  218 20 20
  219 5 5
  220 2 2
  221 6 6
  222 1 1
  229 1 1
  230 62 62
  231 14 14
  232 7 7
  233 1 1
  244 1 1
  245 6 6
  246 388 388
  247 84 84
  248 36 36
  249 5 5
  250 1 1
  258 10 10
  259 2 2
  260 1 1
  273 1 1
  274 3 3
  275 1 1
  276 1 1
  320 3 3
  348 16 16
  349 5 5
  350 2 2
  363 7 7
  364 2 2
  365 1 1
//