ACCESSION: MSBNK-Kazusa-KZ000086
RECORD_TITLE: GABA; GC-EI-TOF; MS; 3 TMS; BP:174
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//