MassBank Record: KZ000097



 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: KZ000097
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_P000048

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 718.863 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-1900000000-73bbf2ee0803f058dbed PK$NUM_PEAK: 101 PK$PEAK: m/z int. rel.int. 82 3 3 83 4 4 84 11 11 85 20 20 86 281 281 87 39 39 88 16 16 89 7 7 90 1 1 96 1 1 97 3 3 98 13 13 99 23 23 100 163 163 101 34 34 102 28 28 103 12 12 104 3 3 105 3 3 110 2 2 111 1 1 112 14 14 113 13 13 114 26 26 115 21 21 116 23 23 117 33 33 118 7 7 119 10 10 120 1 1 121 1 1 124 2 2 125 1 1 126 3 3 127 2 2 128 12 12 129 12 12 130 57 57 131 51 51 132 17 17 133 75 75 134 12 12 135 7 7 136 1 1 140 19 19 141 4 4 142 71 71 143 75 75 144 22 22 145 9 9 146 28 28 147 369 369 148 73 73 149 41 41 150 5 5 151 1 1 154 1 1 156 20 20 157 7 7 158 12 12 159 3 3 160 3 3 161 1 1 170 5 5 171 2 2 172 46 46 173 10 10 174 999 999 175 194 194 176 88 88 177 11 11 178 2 2 186 2 2 187 2 2 188 1 1 189 1 1 190 1 1 198 1 1 200 3 3 201 1 1 204 2 2 205 1 1 214 11 11 215 3 3 216 50 50 217 11 11 218 6 6 219 4 4 220 1 1 230 4 4 231 1 1 232 1 1 246 19 19 247 5 5 248 2 2 288 1 1 303 8 8 304 57 57 305 28 28 306 14 14 307 3 3 //

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