ACCESSION: MSBNK-Keio_Univ-KO002359
RECORD_TITLE: 2-Amino-2-methylbutanoic 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 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 20 V

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

PK$SPLASH: splash10-00di-9000000000-06faa3e3abc07ded0f23
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  36.100 49505.0 2
  44.200 39604.0 2
  45.200 74257.5 3
  50.300 113861.5 5
  55.100 1049506.0 48
  57.200 123762.5 6
  58.200 19802.0 1
  59.300 247525.0 11
  72.200 21772299.0 999
  73.300 143564.5 7
  83.000 1846536.5 85
  86.200 54455.5 2
  90.200 168317.0 8
  100.900 1698021.5 78
  118.000 1118813.0 51
//