MassBank Record: KZ000099



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

ACCESSION: KZ000099
RECORD_TITLE: GABA; 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_04987_P000050

CH$NAME: 4-Aminobutyric acid CH$NAME: GABA CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H9NO2 CH$EXACT_MASS: 103.06333 CH$SMILES: NCCCC(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) CH$LINK: CAS 56-12-2 CH$LINK: KEGG C00334 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 721.013 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: splash10-00di-0900000000-6be23968e972a414be51 PK$NUM_PEAK: 81 PK$PEAK: m/z int. rel.int. 82 2 2 83 2 2 84 21 21 85 9 9 86 54 54 91 1 1 92 2 2 93 7 7 94 1 1 95 4 4 96 2 2 97 5 5 98 11 11 99 18 18 100 102 102 103 6 6 105 2 2 110 3 3 111 3 3 112 15 15 113 9 9 114 19 19 115 17 17 116 14 14 117 25 25 119 5 5 124 4 4 125 1 1 126 4 4 127 2 2 128 9 9 129 15 15 130 50 50 131 41 41 132 5 5 133 77 77 139 4 4 140 29 29 141 2 2 142 188 188 143 34 34 146 7 7 147 239 239 154 2 2 155 3 3 156 30 30 157 16 16 158 16 16 159 2 2 160 6 6 161 1 1 168 2 2 169 1 1 170 15 15 171 4 4 172 75 75 173 1 1 174 999 999 184 1 1 185 1 1 186 7 7 187 2 2 188 3 3 198 2 2 203 1 1 204 4 4 205 1 1 212 1 1 213 2 2 214 20 20 216 83 83 219 3 3 227 2 2 228 1 1 230 6 6 231 2 2 246 23 23 288 6 6 302 1 1 303 15 15 304 17 17 //

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