MassBank Record: PR010059



 L-Glutamine; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010059
RECORD_TITLE: L-Glutamine; 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$NAME: L-Glutamine CH$NAME: L-2-Aminoglutaramic acid 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$LINK: CHEBI 18050 CH$LINK: CHEMPDB GLN CH$LINK: KEGG C00064 CH$LINK: NIKKAJI J9.170G CH$LINK: PUBCHEM 3364
AC$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 1763.1 AC$CHROMATOGRAPHY: RETENTION_TIME 434.102 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C14H34N2O3Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 362.18772 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-05fr-7910000000-89f87d4acc18299244f5 PK$NUM_PEAK: 143 PK$PEAK: m/z int. rel.int. 60 16 16 61 29 29 62 2 2 63 2 2 66 9 9 67 2 2 69 1 1 70 14 14 71 6 6 72 39 39 73 999 999 74 136 136 75 230 230 76 24 24 77 34 34 78 3 3 79 12 12 80 1 1 81 2 2 82 5 5 83 36 36 84 19 19 85 8 8 86 11 11 87 5 5 88 2 2 89 4 4 90 4 4 91 2 2 92 1 1 93 1 1 94 1 1 95 1 1 96 1 1 97 2 2 98 8 8 99 4 4 100 53 53 101 12 12 102 9 9 103 9 9 104 1 1 105 2 2 110 2 2 111 1 1 112 14 14 113 10 10 114 43 43 115 33 33 116 33 33 117 13 13 118 4 4 119 4 4 124 1 1 126 13 13 127 4 4 128 67 67 129 20 20 130 22 22 131 61 61 132 20 20 133 36 36 134 6 6 135 4 4 139 37 37 140 14 14 141 4 4 142 17 17 143 3 3 144 6 6 145 33 33 146 8 8 147 125 125 148 24 24 149 25 25 150 4 4 151 1 1 153 2 2 154 3 3 155 228 228 156 684 684 157 98 98 158 32 32 159 4 4 160 2 2 161 1 1 162 1 1 163 1 1 167 2 2 168 1 1 171 1 1 172 5 5 173 5 5 174 3 3 176 1 1 183 2 2 185 1 1 186 1 1 188 10 10 189 2 2 190 1 1 200 1 1 202 2 2 203 51 51 204 12 12 205 5 5 206 1 1 211 2 2 213 2 2 214 2 2 215 1 1 216 6 6 217 4 4 218 13 13 219 4 4 220 1 1 221 3 3 227 6 6 228 3 3 229 20 20 230 12 12 231 4 4 232 7 7 233 1 1 243 1 1 244 4 4 245 78 78 246 18 18 247 6 6 248 1 1 257 4 4 258 2 2 272 3 3 273 5 5 274 1 1 301 5 5 302 2 2 303 1 1 347 11 11 348 3 3 349 1 1 362 4 4 363 1 1 //