MassBank Record: KO000168



 2-Aminoadipic 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: KO000168
RECORD_TITLE: 2-Aminoadipic 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 A110

CH$NAME: a-Aminoadipate CH$NAME: L-alpha-Aminoadipic acid CH$NAME: L-2-Aminoadipate CH$NAME: L-2-Aminohexanedioate CH$NAME: L-alpha-Aminoadipate CH$NAME: L-2-Aminoadipic acid CH$NAME: 2-Aminoadipic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H11NO4 CH$EXACT_MASS: 161.06881 CH$SMILES: OC(=O)CCC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CAS 542-32-5 CH$LINK: CHEBI 17082 CH$LINK: KEGG C00956 CH$LINK: NIKKAJI J38.125J CH$LINK: PUBCHEM SID:4207
AC$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$FOCUSED_ION: PRECURSOR_M/Z 160 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-3900000000-6d502516af9ae97cad99 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 42.400 24752.5 11 43.400 19802.0 9 57.800 29703.0 13 58.800 84158.5 38 68.100 133663.5 60 95.700 39604.0 18 96.200 138614.0 62 98.100 618812.5 277 99.100 24752.5 11 114.200 94059.5 42 116.200 2232675.5 999 124.300 9901.0 4 141.800 341584.5 153 159.700 19802.0 9 //