MassBank Record: KO002261



 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002261
RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:40 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-2-Aminoadipic acid CH$NAME: L-2-Aminoadipate CH$NAME: L-2-Aminohexanedioate CH$NAME: L-alpha-Aminoadipate CH$NAME: L-alpha-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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 162 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-890ccb8ca31643098706 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 43.200 94059.5 21 44.300 19802.0 4 53.300 24752.5 6 54.000 44554.5 10 55.100 4450499.5 999 56.300 2133665.5 479 67.100 89109.0 20 68.100 79208.0 18 69.000 153465.5 34 70.100 2495052.0 560 70.800 99010.0 22 72.900 163366.5 37 79.900 39604.0 9 81.000 99010.0 22 83.400 19802.0 4 84.800 54455.5 12 98.000 1029704.0 231 98.700 64356.5 14 //