ACCESSION: MSBNK-Kazusa-KZ000074
RECORD_TITLE: Succinic 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_01673_P000103

CH$NAME: Succinic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₆O₄
CH$EXACT_MASS: 118.02661
CH$SMILES: OC(=O)CCC(O)=O
CH$IUPAC: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
CH$LINK: CAS 110-15-6
CH$LINK: KEGG C00042
CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023602

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 1410.0
AC$CHROMATOGRAPHY: RETENTION_TIME 642.862 sec

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

PK$SPLASH: splash10-0002-0920000000-f286e6204a4163b823ba
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  82 9 9
  83 7 7
  84 9 9
  85 25 25
  86 36 36
  87 16 16
  88 9 9
  89 16 16
  90 2 2
  91 1 1
  92 1 1
  93 2 2
  97 1 1
  99 9 9
  100 2 2
  101 12 12
  102 3 3
  103 8 8
  104 2 2
  105 4 4
  106 1 1
  111 1 1
  113 17 17
  114 4 4
  115 18 18
  116 33 33
  117 21 21
  118 4 4
  119 4 4
  120 1 1
  121 1 1
  128 7 7
  129 130 130
  130 22 22
  131 28 28
  132 5 5
  133 36 36
  134 6 6
  135 4 4
  136 1 1
  143 1 1
  147 999 999
  148 143 143
  149 118 118
  150 16 16
  151 4 4
  156 3 3
  157 8 8
  158 1 1
  159 1 1
  162 1 1
  163 4 4
  172 153 153
  173 87 87
  174 20 20
  175 10 10
  176 1 1
  177 1 1
  187 1 1
  189 1 1
  190 3 3
  191 1 1
  192 1 1
  203 5 5
  204 2 2
  205 1 1
  206 1 1
  215 1 1
  217 4 4
  218 16 16
  219 6 6
  220 3 3
  221 1 1
  246 1 1
  247 343 343
  248 88 88
  249 43 43
  250 6 6
  251 1 1
  262 10 10
  263 2 2
  264 1 1
//