MassBank Record: KZ000086



 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: KZ000086
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_01410_P000124

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$CHROMATOGRAPHY: RETENTION_INDEX 1549.1 AC$CHROMATOGRAPHY: RETENTION_TIME 720.512 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-1900000000-2de9d92a2cfc7bc655f4 PK$NUM_PEAK: 99 PK$PEAK: m/z int. rel.int. 82 4 4 83 4 4 84 16 16 85 21 21 86 257 257 87 31 31 88 11 11 89 6 6 96 1 1 97 3 3 98 12 12 99 19 19 100 134 134 101 27 27 102 23 23 103 10 10 104 2 2 105 3 3 110 1 1 111 1 1 112 11 11 113 10 10 114 20 20 115 16 16 116 17 17 117 25 25 118 5 5 119 7 7 120 1 1 124 1 1 125 1 1 126 3 3 127 1 1 128 9 9 129 11 11 130 44 44 131 38 38 132 12 12 133 53 53 134 8 8 135 4 4 139 1 1 140 17 17 141 3 3 142 76 76 143 79 79 144 23 23 145 10 10 146 30 30 147 413 413 148 62 62 149 30 30 150 3 3 151 1 1 154 1 1 156 16 16 157 6 6 158 9 9 159 2 2 160 2 2 161 1 1 170 3 3 171 1 1 172 39 39 173 9 9 174 999 999 175 178 178 176 72 72 177 8 8 178 1 1 186 3 3 187 2 2 188 2 2 189 1 1 198 1 1 200 3 3 201 1 1 204 2 2 205 1 1 214 14 14 215 3 3 216 60 60 217 11 11 218 5 5 219 4 4 220 1 1 221 1 1 230 5 5 231 1 1 232 1 1 246 25 25 247 5 5 248 2 2 288 1 1 303 2 2 304 153 153 305 44 44 306 20 20 307 3 3 //

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