MassBank Record: KO002668

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DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002668
RECORD_TITLE: DL-2,3-Diaminopropionic 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 D037

CH$NAME: 2,3-Diaminopropionate
CH$NAME: 2,3-Diaminopropanoic acid
CH$NAME: 2,3-Diaminopropanoate
CH$NAME: 2,3-Diaminopropionic acid
CH$NAME: DL-2,3-Diaminopropionic acid
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C3H8N2O2
CH$EXACT_MASS: 104.05858
CH$SMILES: NCC(N)C(O)=O
CH$IUPAC: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)
CH$LINK: CHEBI 18383
CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N
CH$LINK: KEGG C06393
CH$LINK: PUBCHEM SID:8629

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 105
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-9000000000-c0464090525f2b35069c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  42.0 217822.0 39.0
  55.0 24752.5 4.0
  58.0 39604.0 7.0
  59.2 1668320.0 297.0
  60.1 49505.0 9.0
  70.0 2737630.0 487.0
  76.1 460396.0 82.0
  77.1 108911.0 19.0
  88.1 5618820.0 999.0
  105.1 391090.0 70.0
//