MassBank Record: PR010014



 Glycine; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //