ACCESSION: MSBNK-Kazusa-KZ000224
RECORD_TITLE: L-Glutamic acid; GC-EI-TOF; MS; 3 TMS; BP:246
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_01558_P000142

CH$NAME: L-Glutamic acid
CH$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: KEGG C00025
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1667.8
AC$CHROMATOGRAPHY: RETENTION_TIME 779.962 sec

MS$FOCUSED_ION: BASE_PEAK 246
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0002-2950000000-2d6edc93ec5f8dee2223
PK$NUM_PEAK: 159
PK$PEAK: m/z int. rel.int.
  82 15 15
  83 19 19
  84 412 412
  85 50 50
  86 33 33
  87 16 16
  88 9 9
  89 11 11
  90 4 4
  91 2 2
  92 3 3
  93 5 5
  94 2 2
  95 6 6
  96 5 5
  97 5 5
  98 23 23
  99 20 20
  100 176 176
  101 39 39
  102 20 20
  103 33 33
  104 4 4
  105 7 7
  106 1 1
  107 1 1
  108 1 1
  110 5 5
  111 2 2
  112 26 26
  113 25 25
  114 43 43
  115 38 38
  116 18 18
  117 30 30
  118 6 6
  119 11 11
  120 1 1
  121 1 1
  124 1 1
  125 1 1
  126 6 6
  127 3 3
  128 550 550
  129 123 123
  130 51 51
  131 53 53
  132 36 36
  133 108 108
  134 18 18
  135 12 12
  136 1 1
  139 1 1
  140 52 52
  141 9 9
  142 8 8
  143 7 7
  144 8 8
  145 5 5
  146 5 5
  147 415 415
  148 76 76
  149 100 100
  150 14 14
  151 7 7
  152 1 1
  153 1 1
  154 6 6
  155 7 7
  156 345 345
  157 60 60
  158 65 65
  159 13 13
  160 6 6
  161 3 3
  162 2 2
  163 4 4
  164 1 1
  168 3 3
  169 1 1
  170 2 2
  171 1 1
  172 7 7
  173 3 3
  174 16 16
  175 3 3
  176 3 3
  177 3 3
  178 1 1
  182 1 1
  183 1 1
  184 2 2
  185 1 1
  186 5 5
  187 2 2
  188 5 5
  189 5 5
  190 3 3
  191 2 2
  192 1 1
  193 1 1
  194 1 1
  196 1 1
  198 2 2
  199 1 1
  200 2 2
  201 1 1
  202 12 12
  203 9 9
  204 32 32
  205 8 8
  206 4 4
  207 2 2
  208 1 1
  213 1 1
  214 11 11
  215 5 5
  216 7 7
  217 2 2
  218 40 40
  219 11 11
  220 4 4
  221 12 12
  222 3 3
  223 2 2
  228 1 1
  229 2 2
  230 115 115
  231 29 29
  232 14 14
  233 2 2
  244 4 4
  245 16 16
  246 999 999
  247 210 210
  248 90 90
  249 13 13
  250 2 2
  258 24 24
  259 5 5
  260 3 3
  272 1 1
  273 2 2
  274 10 10
  275 3 3
  276 2 2
  320 8 8
  321 3 3
  322 1 1
  332 1 1
  347 2 2
  348 38 38
  349 12 12
  350 5 5
  351 1 1
  362 1 1
  363 14 14
  364 5 5
  365 2 2
//