MassBank Record: KO000149



 Adipic 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: KO000149
RECORD_TITLE: Adipic 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 A076

CH$NAME: Adipate CH$NAME: Hexanedioate CH$NAME: Hexan-1,6-dicarboxylate CH$NAME: Adipic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H10O4 CH$EXACT_MASS: 146.05791 CH$SMILES: OC(=O)CCCCC(O)=O CH$IUPAC: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) CH$LINK: CAS 124-04-9 CH$LINK: CHEBI 30832 CH$LINK: KEGG C06104 CH$LINK: NIKKAJI J10.057I CH$LINK: PUBCHEM SID:8368
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 145 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0ue9-6900000000-90e783cc3522f0ce7880 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 59.100 19802.0 4 72.800 49505.0 10 74.800 34653.5 7 81.200 465347.0 96 83.300 4415846.0 914 99.000 84158.5 17 101.000 4826737.5 999 126.900 514852.0 107 145.000 1217823.0 252 //