MassBank Record: KO002667

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DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002667
RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:10 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: 104.0585800000000062937033362686634063720703125
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 10 V

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

PK$SPLASH: splash10-0udi-3900000000-fd345f90000402ba97f3
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  55.400 39604.0 1
  59.100 945545.5 36
  69.400 128713.0 5
  69.900 79208.0 3
  72.900 29703.0 1
  76.200 64356.5 2
  87.200 173267.5 7
  88.200 7836641.5 297
  104.900 26391115.5 999
  122.900 74257.5 3
//