ACCESSION: MSBNK-Keio_Univ-KO002673
RECORD_TITLE: 2,4-Diaminobutyric 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 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 20 V

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

PK$SPLASH: splash10-0uk9-9800000000-2846e6524438703ab54d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  44.100 1227724.0 112
  46.200 19802.0 2
  55.000 153465.5 14
  56.300 3207924.0 292
  57.200 59406.0 5
  58.400 29703.0 3
  60.100 29703.0 3
  61.100 133663.5 12
  69.100 693070.0 63
  71.700 39604.0 4
  72.900 3009904.0 274
  74.000 4475252.0 408
  83.000 173267.5 16
  84.200 1405942.0 128
  85.100 346535.0 32
  87.800 24752.5 2
  90.500 39604.0 4
  101.000 3000003.0 273
  102.000 10960407.0 999
  119.300 376238.0 34
//