ACCESSION: MSBNK-Keio_Univ-KO002669
RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-05g3-9000000000-0afff6d86fbbb402186a
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  42.100 405941.0 554
  44.000 39604.0 54
  45.300 19802.0 27
  58.000 138614.0 189
  59.000 465347.0 635
  70.100 732674.0 999
  76.200 227723.0 311
  76.900 89109.0 122
  88.200 485149.0 662
  94.900 14851.5 20
//