ACCESSION: MSBNK-RIKEN-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$LINK: PUBCHEM 3364
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1763.1
AC$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
//