ACCESSION: MSBNK-Keio_Univ-KO002674
RECORD_TITLE: 2,4-Diaminobutyric 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 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 30 V

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

PK$SPLASH: splash10-0ab9-9000000000-d101f60f5f0933b1cc22
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  40.800 44554.5 12
  44.200 1628714.5 445
  46.100 49505.0 14
  56.200 3658419.5 999
  57.100 49505.0 14
  60.100 24752.5 7
  61.100 54455.5 15
  69.200 74257.5 20
  72.800 69307.0 19
  73.900 1950497.0 533
  83.200 54455.5 15
  84.300 391089.5 107
  84.900 138614.0 38
  92.000 29703.0 8
  102.100 603961.0 165
  119.200 54455.5 15
  120.100 19802.0 5
//