MassBank Record: KZ000211



 Glycine; GC-EI-TOF; MS; 3 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000211
RECORD_TITLE: Glycine; GC-EI-TOF; MS; 3 TMS; BP:174
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01510_P000095

CH$NAME: Glycine CH$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: KEGG C00037 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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1321.7 AC$CHROMATOGRAPHY: RETENTION_TIME 582.463 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dj-2900000000-0ef96bcf06ce475afcdd PK$NUM_PEAK: 79 PK$PEAK: m/z int. rel.int. 82 1 1 83 2 2 84 23 23 85 15 15 86 499 499 87 72 72 88 27 27 89 5 5 93 2 2 95 4 4 98 2 2 99 8 8 100 320 320 101 80 80 102 50 50 103 32 32 104 6 6 105 9 9 106 1 1 112 1 1 113 14 14 114 11 11 115 18 18 116 27 27 117 74 74 118 14 14 119 18 18 120 1 1 121 1 1 128 1 1 129 4 4 130 55 55 131 62 62 132 18 18 133 143 143 134 23 23 135 15 15 136 2 2 142 2 2 143 1 1 144 18 18 145 5 5 146 9 9 147 372 372 148 62 62 149 33 33 150 3 3 151 1 1 158 10 10 159 3 3 160 5 5 161 1 1 172 11 11 173 4 4 174 999 999 175 182 182 176 96 96 177 19 19 178 3 3 179 1 1 187 1 1 188 11 11 189 3 3 190 3 3 191 1 1 192 1 1 202 6 6 203 1 1 204 5 5 205 1 1 246 14 14 247 3 3 248 178 178 249 46 46 250 26 26 251 5 5 276 18 18 277 2 2 278 1 1 //

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