MassBank MassBank Search Contents Download

MassBank Record: MSBNK-RIKEN-PR100390

D-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)

ACCESSION: MSBNK-RIKEN-PR100390
RECORD_TITLE: D-2-Aminoadipic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: D-2-Aminoadipic acid
CH$NAME: D-Aad
CH$NAME: D-Ho-Glu
CH$NAME: D-2-Aminoadipate
CH$NAME: D-alpha-Aminoadipic Acid
CH$NAME: (R)-2-Aminohexanedioic acid
CH$NAME: D-Homoglutamic acid
CH$NAME: D-2-Aminohexanedioate
CH$COMPOUND_CLASS: Carboxylic acids
CH$FORMULA: C6H11NO4
CH$EXACT_MASS: 161.06881
CH$SMILES: OC(=O)CCCC(N)C(O)=O
CH$IUPAC: InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m1/s1
CH$LINK: CAS 7620-28-2
CH$LINK: CHEMSPIDER 145155
CH$LINK: KAPPAVIEW KPC00658
CH$LINK: KNAPSACK C00007393
CH$LINK: PUBCHEM CID:165627
CH$LINK: INCHIKEY OYIFNHCXNCRBQI-SCSAIBSYSA-N
CH$LINK: COMPTOX DTXSID90227062

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
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 A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 162.0766
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-9600000000-df3afc37e412e6d447da
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  70.0658 21.11 114
  98.0608 184.8 999
  116.0714 63.36 343
  144.0670 56.16 304
  162.0766 28.4 154
//

Imprint Feedback
system version 2.2
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo