MassBank Record: KZ000224



 L-Glutamic acid; GC-EI-TOF; MS; 3 TMS; BP:246 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000224
RECORD_TITLE: L-Glutamic acid; GC-EI-TOF; MS; 3 TMS; BP:246
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

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