ACCESSION: MSBNK-Kazusa-KZ000154
RECORD_TITLE: L-Glutamine; GC-EI-TOF; MS; 3 TMS; BP:156
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_05054_P000050

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 872.329 sec

MS$FOCUSED_ION: BASE_PEAK 156
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0a4i-0910000000-134e80840320dadf6ad1
PK$NUM_PEAK: 170
PK$PEAK: m/z int. rel.int.
  82 9 9
  83 76 76
  84 50 50
  85 18 18
  86 22 22
  87 10 10
  88 4 4
  89 9 9
  90 9 9
  91 3 3
  92 3 3
  93 3 3
  94 3 3
  95 2 2
  96 3 3
  97 4 4
  98 18 18
  99 10 10
  100 103 103
  101 28 28
  102 17 17
  103 19 19
  104 3 3
  105 4 4
  106 1 1
  107 2 2
  108 1 1
  109 1 1
  110 5 5
  111 4 4
  112 32 32
  113 20 20
  114 74 74
  115 55 55
  116 56 56
  117 23 23
  118 7 7
  119 7 7
  120 1 1
  121 2 2
  123 1 1
  124 2 2
  125 2 2
  126 39 39
  127 9 9
  128 117 117
  129 35 35
  130 40 40
  131 93 93
  132 35 35
  133 63 63
  134 11 11
  135 6 6
  136 1 1
  137 1 1
  138 1 1
  139 85 85
  140 31 31
  141 9 9
  142 30 30
  143 5 5
  144 10 10
  145 48 48
  146 14 14
  147 243 243
  148 48 48
  149 46 46
  150 7 7
  151 3 3
  152 1 1
  153 5 5
  154 12 12
  155 442 442
  156 999 999
  157 163 163
  158 52 52
  159 7 7
  160 4 4
  161 2 2
  162 3 3
  163 2 2
  166 1 1
  167 5 5
  168 2 2
  169 1 1
  170 2 2
  171 3 3
  172 10 10
  173 8 8
  174 5 5
  175 1 1
  176 1 1
  177 1 1
  181 1 1
  182 2 2
  183 4 4
  184 1 1
  185 2 2
  186 2 2
  187 1 1
  188 18 18
  189 5 5
  190 3 3
  191 1 1
  192 1 1
  197 1 1
  198 1 1
  199 1 1
  200 3 3
  201 1 1
  202 4 4
  203 70 70
  204 18 18
  205 7 7
  206 2 2
  211 6 6
  212 2 2
  213 5 5
  214 5 5
  215 2 2
  216 10 10
  217 7 7
  218 22 22
  219 7 7
  220 2 2
  221 6 6
  222 1 1
  223 1 1
  226 1 1
  227 16 16
  228 8 8
  229 39 39
  230 21 21
  231 7 7
  232 12 12
  233 2 2
  234 1 1
  239 1 1
  240 1 1
  241 1 1
  242 1 1
  243 2 2
  244 7 7
  245 102 102
  246 23 23
  247 9 9
  248 2 2
  256 1 1
  257 8 8
  258 4 4
  259 1 1
  272 5 5
  273 9 9
  274 2 2
  275 1 1
  291 1 1
  300 1 1
  301 11 11
  302 4 4
  303 2 2
  304 1 1
  344 2 2
  345 1 1
  346 3 3
  347 15 15
  348 4 4
  349 2 2
  361 1 1
  362 4 4
  363 1 1
//