ACCESSION: MSBNK-Kazusa-KZ000044
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_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
//