MassBank Record: KO000167



 2-Aminoadipic 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: KO000167
RECORD_TITLE: 2-Aminoadipic 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 160 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014l-1900000000-d494e215372d6ce27ebe PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 59.300 44554.5 3 67.500 24752.5 2 69.700 99010.0 8 70.500 19802.0 2 72.500 14851.5 1 95.800 108911.0 8 98.100 3980202.0 304 99.200 84158.5 6 114.000 425743.0 33 116.200 13069320.0 999 117.900 59406.0 5 124.000 94059.5 7 126.900 19802.0 2 141.900 9866346.5 754 160.100 6391095.5 489 //