ACCESSION: MSBNK-RIKEN-PR010014
RECORD_TITLE: Glycine; 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$NAME: Glycine
CH$NAME: Aminoacetic acid
CH$NAME: Gly
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₂H₅NO₂
CH$EXACT_MASS: 75.03203
CH$SMILES: NCC(O)=O
CH$IUPAC: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
CH$LINK: CAS 56-40-6
CH$LINK: CHEBI 15428
CH$LINK: CHEMPDB GLY
CH$LINK: KEGG C00037
CH$LINK: NIKKAJI J1.163K
CH$LINK: PUBCHEM 3339
CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020667

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$CHROMATOGRAPHY: RETENTION_INDEX 1302.3
AC$CHROMATOGRAPHY: RETENTION_TIME 316.441 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C11H29NO2Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 291.15061
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-7910000000-6c972a683dfb75b69331
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  60 17 17
  61 11 11
  66 10 10
  67 1 1
  69 1 1
  70 11 11
  71 9 9
  72 25 25
  73 999 999
  74 86 86
  75 50 50
  76 3 3
  77 10 10
  83 1 1
  84 8 8
  85 7 7
  86 399 399
  87 41 41
  88 16 16
  89 2 2
  95 2 2
  98 1 1
  99 4 4
  100 221 221
  101 44 44
  102 30 30
  103 14 14
  104 2 2
  105 4 4
  113 6 6
  114 6 6
  115 9 9
  116 13 13
  117 38 38
  118 7 7
  119 12 12
  120 1 1
  121 1 1
  128 1 1
  129 3 3
  130 39 39
  131 42 42
  132 12 12
  133 116 116
  134 17 17
  135 9 9
  136 1 1
  142 1 1
  143 1 1
  144 10 10
  145 3 3
  146 5 5
  147 319 319
  148 49 49
  149 24 24
  150 2 2
  158 12 12
  159 4 4
  160 7 7
  161 2 2
  172 7 7
  173 2 2
  174 750 750
  175 148 148
  176 73 73
  177 15 15
  178 2 2
  188 7 7
  189 2 2
  190 2 2
  202 3 3
  203 1 1
  204 4 4
  205 1 1
  246 11 11
  247 4 4
  248 146 146
  249 42 42
  250 20 20
  251 4 4
  276 49 49
  277 13 13
  278 6 6
  279 1 1
//