ACCESSION: MSBNK-Keio_Univ-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: KEGG C06393
CH$LINK: PUBCHEM SID:8629
CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N

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.
  42.000 217822.0 39
  55.000 24752.5 4
  58.000 39604.0 7
  59.200 1668318.5 297
  60.100 49505.0 9
  70.000 2737626.5 487
  76.100 460396.5 82
  77.100 108911.0 19
  88.100 5618817.5 999
  105.100 391089.5 70
//