MassBank Record: KO000594



 Dodecanedioic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000594
RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 229 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0090000000-c199a4bd96cfdc048490 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 58.900 64356.5 1 128.800 9901.0 1 130.700 29703.0 1 146.800 14851.5 1 153.300 24752.5 1 167.300 44554.5 1 169.000 39604.0 1 185.000 54455.5 1 196.700 49505.0 1 211.400 316832.0 6 229.200 51321833.5 999 //