ACCESSION: MSBNK-Keio_Univ-KO002360
RECORD_TITLE: 2-Amino-2-methylbutanoic 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 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 30 V

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

PK$SPLASH: splash10-00di-9000000000-a1037c58fca46acdf62f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  30.900 9901.0 2
  41.400 44554.5 7
  43.000 89109.0 14
  43.800 44554.5 7
  45.100 282178.5 43
  55.300 2653468.0 406
  57.200 400990.5 61
  59.200 168317.0 26
  69.100 9901.0 2
  72.100 6534660.0 999
  73.400 99010.0 15
  75.100 14851.5 2
  83.400 381188.5 58
  86.500 29703.0 5
  90.200 44554.5 7
  99.700 39604.0 6
  101.200 227723.0 35
//