ACCESSION: MSBNK-Kazusa-KZ000031
RECORD_TITLE: Glutaric acid; GC-EI-TOF; MS; 2 TMS; BP:147
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_01504_P000116

CH$NAME: Glutaric acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₈O₄
CH$EXACT_MASS: 132.04226
CH$SMILES: OC(=O)CCCC(O)=O
CH$IUPAC: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
CH$LINK: CAS 110-94-1
CH$LINK: KEGG C00489
CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021654

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 1499.3
AC$CHROMATOGRAPHY: RETENTION_TIME 694.463 sec

MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0f6t-2940000000-9f099473c4a6eb94d4be
PK$NUM_PEAK: 158
PK$PEAK: m/z int. rel.int.
  83 5 5
  85 157 157
  86 21 21
  87 25 25
  88 81 81
  89 57 57
  90 6 6
  91 5 5
  94 1 1
  95 11 11
  96 8 8
  97 823 823
  98 43 43
  99 64 64
  100 7 7
  101 55 55
  102 5 5
  103 5 5
  104 1 1
  105 2 2
  106 1 1
  109 1 1
  110 1 1
  111 5 5
  112 1 1
  113 36 36
  114 7 7
  115 65 65
  116 494 494
  117 198 198
  118 23 23
  119 12 12
  120 1 1
  121 1 1
  122 1 1
  123 76 76
  124 6 6
  125 2 2
  126 1 1
  127 50 50
  128 13 13
  129 489 489
  130 260 260
  131 45 45
  132 12 12
  133 42 42
  134 3 3
  135 3 3
  138 1 1
  141 2 2
  142 9 9
  143 49 49
  144 4 4
  145 27 27
  146 2 2
  147 999 999
  148 12 12
  157 1 1
  158 395 395
  159 133 133
  160 25 25
  161 6 6
  162 30 30
  163 18 18
  164 3 3
  165 3 3
  167 1 1
  168 1 1
  169 3 3
  170 1 1
  171 38 38
  172 5 5
  173 6 6
  174 3 3
  175 3 3
  176 3 3
  177 2 2
  178 3 3
  179 1 1
  180 1 1
  181 1 1
  182 1 1
  183 1 1
  184 1 1
  185 4 4
  186 334 334
  187 196 196
  188 33 33
  189 102 102
  190 26 26
  191 18 18
  192 4 4
  193 2 2
  194 1 1
  195 3 3
  196 3 3
  197 3 3
  198 2 2
  199 2 2
  200 2 2
  201 24 24
  202 6 6
  203 382 382
  204 546 546
  205 110 110
  206 35 35
  207 5 5
  208 3 3
  209 1 1
  210 2 2
  211 1 1
  212 2 2
  213 1 1
  214 2 2
  215 2 2
  216 2 2
  217 28 28
  218 7 7
  219 14 14
  220 4 4
  221 6 6
  222 2 2
  223 2 2
  224 2 2
  225 1 1
  226 2 2
  227 1 1
  228 1 1
  230 2 2
  231 2 2
  232 6 6
  233 259 259
  234 115 115
  235 49 49
  236 8 8
  237 2 2
  238 1 1
  239 1 1
  240 1 1
  242 1 1
  243 2 2
  244 3 3
  245 5 5
  246 5 5
  247 3 3
  248 3 3
  249 2 2
  250 3 3
  251 3 3
  252 3 3
  253 2 2
  254 2 2
  255 1 1
  260 8 8
  261 597 597
  262 88 88
  263 24 24
  276 3 3
//