MassBank Record: PR100729



 L-2-Aminoadipic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100729
RECORD_TITLE: L-2-Aminoadipic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (2010.06.21, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: L-2-Aminoadipic acid CH$NAME: L-Aad CH$NAME: L-Ho-Glu CH$NAME: L-2-Aminoadipate CH$NAME: L-alpha-Aminoadipic Acid CH$NAME: (S)-2-Aminohexanedioic acid CH$NAME: L-Homoglutamic acid CH$NAME: L-2-Aminohexanedioate CH$COMPOUND_CLASS: Carboxylic acids CH$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 1118-90-7 CH$LINK: CHEMSPIDER 83182 CH$LINK: KAPPAVIEW KPC00658 CH$LINK: KEGG C00956 CH$LINK: KNAPSACK C00007393 CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 160.061 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0900000000-bc25c203e83b737675b0 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 98.0598 19.63 222 116.0714 72.62 820 142.0505 59.2 668 160.0610 88.47 999 160.8423 69.17 781 //