ACCESSION: MSBNK-Kazusa-KZ000006
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_01719_P000037

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 1548.2
AC$CHROMATOGRAPHY: RETENTION_TIME 716.713 sec

MS$FOCUSED_ION: BASE_PEAK 174
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00dj-1900000000-f831f79dfcaeffa8b177
PK$NUM_PEAK: 115
PK$PEAK: m/z int. rel.int.
  82 7 7
  83 7 7
  84 27 27
  85 35 35
  86 456 456
  87 59 59
  88 23 23
  89 12 12
  90 1 1
  91 1 1
  92 1 1
  93 1 1
  95 1 1
  96 2 2
  97 5 5
  98 21 21
  99 36 36
  100 258 258
  101 56 56
  102 39 39
  103 21 21
  104 4 4
  105 7 7
  106 1 1
  110 3 3
  111 2 2
  112 24 24
  113 21 21
  114 42 42
  115 36 36
  116 39 39
  117 57 57
  118 11 11
  119 15 15
  120 2 2
  121 1 1
  124 3 3
  125 1 1
  126 6 6
  127 3 3
  128 17 17
  129 24 24
  130 98 98
  131 81 81
  132 25 25
  133 115 115
  134 17 17
  135 9 9
  136 1 1
  137 1 1
  139 1 1
  140 28 28
  141 5 5
  142 105 105
  143 107 107
  144 32 32
  145 13 13
  146 39 39
  147 579 579
  148 93 93
  149 52 52
  150 6 6
  151 2 2
  154 2 2
  155 1 1
  156 33 33
  157 11 11
  158 17 17
  159 4 4
  160 4 4
  161 2 2
  168 1 1
  170 5 5
  171 2 2
  172 45 45
  173 10 10
  174 999 999
  175 192 192
  176 86 86
  177 10 10
  178 2 2
  186 4 4
  187 3 3
  188 3 3
  189 2 2
  190 1 1
  198 2 2
  200 5 5
  201 1 1
  202 1 1
  203 1 1
  204 3 3
  205 2 2
  214 20 20
  215 5 5
  216 92 92
  217 18 18
  218 8 8
  219 6 6
  220 2 2
  221 1 1
  228 1 1
  230 8 8
  231 2 2
  232 2 2
  246 36 36
  247 8 8
  248 3 3
  288 1 1
  303 6 6
  304 173 173
  305 51 51
  306 25 25
  307 4 4
  308 1 1
//