ACCESSION: MSBNK-Keio_Univ-KO002361
RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:40 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 A189

CH$NAME: 2-Amino-2-methylbutanoate
CH$NAME: 2-Amino-2-methylbutanoic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₁NO₂
CH$EXACT_MASS: 117.07898
CH$SMILES: CCC(C)(N)C(O)=O
CH$IUPAC: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)
CH$LINK: KEGG C03571
CH$LINK: PUBCHEM SID:6363
CH$LINK: INCHIKEY GCHPUFAZSONQIV-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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 118
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0ab9-9000000000-b4358de5e79d4fbd9abe
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  40.800 34653.5 28
  44.400 54455.5 44
  45.100 188119.0 154
  53.200 49505.0 40
  55.100 1222773.5 999
  57.100 628713.5 514
  58.000 64356.5 53
  71.000 34653.5 28
  72.200 970298.0 793
  83.000 34653.5 28
  99.600 9901.0 8
  451.700 19802.0 16
//