MassBank Record: KO001809



 Sebacic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001809
RECORD_TITLE: Sebacic acid; LC-ESI-QQ; MS2; CE:30 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 S017

CH$NAME: Sebacate CH$NAME: Decanedioic acid CH$NAME: Sebacic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H18O4 CH$EXACT_MASS: 202.12051 CH$SMILES: OC(=O)CCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14) CH$LINK: CAS 111-20-6 CH$LINK: CHEBI 9071 CH$LINK: CHEMPDB DEC CH$LINK: KEGG C08277 CH$LINK: NIKKAJI J10.109E CH$LINK: PUBCHEM SID:10475
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 201 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0900000000-83a69e4c3ab60df51781 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 57.000 99010.0 18 59.100 34653.5 6 70.900 39604.0 7 78.700 29703.0 5 82.300 49505.0 9 95.500 34653.5 6 110.900 881189.0 158 122.800 34653.5 6 137.200 564357.0 101 137.700 29703.0 5 139.300 5569312.5 999 140.700 39604.0 7 157.000 74257.5 13 183.300 1311882.5 235 201.300 99010.0 18 //