MassBank Record: KO000595



 Dodecanedioic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000595
RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D049

CH$NAME: Dodecanedioate CH$NAME: Dodecanedioic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H22O4 CH$EXACT_MASS: 230.15181 CH$SMILES: OC(=O)CCCCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16) CH$LINK: CAS 693-23-2 CH$LINK: KEGG C02678 CH$LINK: NIKKAJI J43.533C CH$LINK: PUBCHEM SID:5648
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 229 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01t9-0090000000-ef2f6d7d8f208f75e585 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 32.200 24752.5 1 59.000 113861.5 6 69.000 24752.5 1 93.000 39604.0 2 128.800 9901.0 1 130.400 19802.0 1 153.300 34653.5 2 167.300 2608913.5 140 169.600 24752.5 1 185.200 173267.5 9 196.200 103960.5 6 210.900 2871290.0 154 211.200 9960406.0 534 229.300 18638632.5 999 //