ACCESSION: MSBNK-Keio_Univ-KO002672
RECORD_TITLE: 2,4-Diaminobutyric 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 D038

CH$NAME: 2,4-Diaminobutyrate
CH$NAME: L-2,4-Diaminobutanoate
CH$NAME: alpha,gamma-Diaminobutyrate
CH$NAME: L-2,4-Diaminobutyrate
CH$NAME: 2,4-Diaminobutyric acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀N₂O₂
CH$EXACT_MASS: 118.07423
CH$SMILES: NCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
CH$LINK: CAS 1758-80-1
CH$LINK: CHEBI 16028
CH$LINK: KEGG C03283
CH$LINK: NIKKAJI J80.310C
CH$LINK: PUBCHEM SID:6142
CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 119
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0uxr-1900000000-499115725bc286b22b97
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  40.900 366337.0 11
  43.900 44554.5 1
  50.000 24752.5 1
  51.300 49505.0 2
  55.300 4153469.5 130
  57.000 138614.0 4
  59.000 341584.5 11
  61.000 212871.5 7
  62.700 39604.0 1
  69.100 1549506.5 48
  73.200 4153469.5 130
  74.100 311881.5 10
  77.700 148515.0 5
  83.000 2762379.0 86
  84.000 148515.0 5
  85.100 64356.5 2
  87.000 247525.0 8
  90.000 24752.5 1
  101.000 31945576.5 999
  102.100 13990113.0 437
  119.300 30514882.0 954
//