MassBank Record: KZ000044



 L-Glutamine; GC-EI-TOF; MS; 3 TMS; BP:156 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000044
RECORD_TITLE: L-Glutamine; GC-EI-TOF; MS; 3 TMS; BP:156
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_01559_P000227

CH$NAME: L-Glutamine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H10N2O3 CH$EXACT_MASS: 146.06914 CH$SMILES: NC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 CH$LINK: CAS 56-85-9 CH$LINK: KEGG C00064 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100
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 1876.7 AC$CHROMATOGRAPHY: RETENTION_TIME 873.763 sec
MS$FOCUSED_ION: BASE_PEAK 156 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-0910000000-adb283bb40327f705680 PK$NUM_PEAK: 154 PK$PEAK: m/z int. rel.int. 82 10 10 83 75 75 84 47 47 85 17 17 86 22 22 87 10 10 88 4 4 89 8 8 90 9 9 91 3 3 92 2 2 93 2 2 94 2 2 95 2 2 96 3 3 97 3 3 98 16 16 99 8 8 100 95 95 101 22 22 102 16 16 103 20 20 104 3 3 105 4 4 106 1 1 107 1 1 108 1 1 110 4 4 111 3 3 112 26 26 113 17 17 114 67 67 115 54 54 116 51 51 117 22 22 118 6 6 119 7 7 120 1 1 121 1 1 124 1 1 125 1 1 126 24 24 127 6 6 128 106 106 129 31 31 130 35 35 131 88 88 132 32 32 133 57 57 134 10 10 135 6 6 136 1 1 137 1 1 138 1 1 139 62 62 140 25 25 141 8 8 142 27 27 143 5 5 144 10 10 145 46 46 146 12 12 147 216 216 148 43 43 149 44 44 150 7 7 151 3 3 152 1 1 153 4 4 154 8 8 155 411 411 156 999 999 157 160 160 158 50 50 159 7 7 160 3 3 161 2 2 162 2 2 163 2 2 167 4 4 168 2 2 169 1 1 170 1 1 171 2 2 172 9 9 173 9 9 174 5 5 175 1 1 176 1 1 182 1 1 183 3 3 184 1 1 185 2 2 186 1 1 187 1 1 188 16 16 189 5 5 190 3 3 191 1 1 198 1 1 200 3 3 201 1 1 202 4 4 203 63 63 204 17 17 205 7 7 206 1 1 211 4 4 212 2 2 213 4 4 214 4 4 215 2 2 216 10 10 217 6 6 218 24 24 219 7 7 220 3 3 221 5 5 222 1 1 227 13 13 228 7 7 229 32 32 230 20 20 231 6 6 232 13 13 233 2 2 234 1 1 239 1 1 240 1 1 241 1 1 243 2 2 244 7 7 245 124 124 246 28 28 247 11 11 248 2 2 257 8 8 258 4 4 259 1 1 272 4 4 273 10 10 274 2 2 275 1 1 301 9 9 302 4 4 303 2 2 304 1 1 344 1 1 346 2 2 347 19 19 348 6 6 349 2 2 362 5 5 363 1 1 //

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