MassBank Record: KZ000098



 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: KZ000098
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_P000049

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 720.363 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-1901000000-85d4bd98af8534428b5a PK$NUM_PEAK: 101 PK$PEAK: m/z int. rel.int. 82 4 4 83 4 4 84 10 10 85 21 21 86 324 324 87 48 48 88 19 19 89 8 8 90 1 1 96 1 1 97 2 2 98 14 14 99 22 22 100 169 169 101 38 38 102 27 27 103 11 11 104 3 3 105 3 3 110 1 1 111 1 1 112 13 13 113 12 12 114 25 25 115 18 18 116 21 21 117 30 30 118 8 8 119 9 9 120 2 2 121 1 1 124 1 1 126 3 3 127 1 1 128 11 11 129 10 10 130 46 46 131 43 43 132 16 16 133 51 51 134 13 13 135 7 7 136 1 1 140 17 17 141 4 4 142 42 42 143 92 92 144 30 30 145 15 15 146 27 27 147 428 428 148 77 77 149 49 49 150 6 6 151 1 1 156 12 12 157 2 2 158 6 6 159 2 2 160 1 1 161 1 1 170 1 1 171 1 1 172 35 35 173 12 12 174 999 999 175 247 247 176 113 113 177 17 17 178 3 3 186 2 2 187 3 3 188 2 2 189 1 1 190 1 1 198 1 1 200 6 6 201 1 1 204 2 2 205 2 2 206 1 1 214 17 17 215 5 5 216 63 63 217 20 20 218 11 11 219 6 6 220 2 2 221 1 1 230 7 7 231 1 1 232 2 2 246 32 32 247 10 10 248 5 5 249 1 1 304 246 246 305 83 83 306 49 49 307 11 11 308 2 2 //

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