ACCESSION: MSBNK-RIKEN-PR010238
RECORD_TITLE: Succinic acid; GC-EI-TOF; MS; 2 TMS; BP:147
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Succinic acid
CH$NAME: Succinate
CH$NAME: Ethylenesuccinic acid
CH$NAME: Butanedionic 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$LINK: CHEBI 15741
CH$LINK: CHEMPDB SIN
CH$LINK: KEGG C00042
CH$LINK: NIKKAJI J2.879G
CH$LINK: PUBCHEM 3344
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1303.7
AC$CHROMATOGRAPHY: RETENTION_TIME 348.339 sec

MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_FORM C10H22O4Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 262.10566
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-006t-9800000000-df5ff4e8457d2d4ef919
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  60 24 24
  61 74 74
  62 7 7
  63 5 5
  65 2 2
  66 30 30
  67 3 3
  69 1 1
  70 9 9
  71 11 11
  72 48 48
  73 849 849
  74 99 99
  75 455 455
  76 43 43
  77 59 59
  78 4 4
  79 10 10
  82 4 4
  83 3 3
  84 5 5
  85 17 17
  86 20 20
  87 12 12
  88 5 5
  89 9 9
  90 1 1
  92 1 1
  93 2 2
  95 1 1
  97 1 1
  99 8 8
  100 2 2
  101 10 10
  102 3 3
  103 10 10
  104 1 1
  105 5 5
  111 1 1
  113 13 13
  114 2 2
  115 18 18
  116 22 22
  117 18 18
  118 2 2
  119 4 4
  128 4 4
  129 114 114
  130 17 17
  131 25 25
  132 4 4
  133 42 42
  134 5 5
  135 4 4
  143 4 4
  145 5 5
  146 1 1
  147 999 999
  148 164 164
  149 88 88
  150 9 9
  151 2 2
  156 2 2
  157 5 5
  159 1 1
  163 3 3
  172 41 41
  173 22 22
  174 4 4
  175 2 2
  190 1 1
  203 3 3
  217 2 2
  218 7 7
  219 1 1
  247 90 90
  248 18 18
  249 8 8
  250 1 1
  262 4 4
  263 1 1
//