ACCESSION: MSBNK-Keio_Univ-KO002358
RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0gb9-5900000000-9adac7f75de8f77c1883
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  36.000 316832.0 10
  50.300 13009914.0 404
  54.900 74257.5 2
  59.400 94059.5 3
  60.200 24752.5 1
  64.300 99010.0 3
  68.300 207921.0 6
  72.000 15089124.0 469
  82.000 519802.5 16
  83.100 613862.0 19
  84.800 39604.0 1
  86.100 163366.5 5
  99.900 410891.5 13
  101.100 14465361.0 449
  112.700 14851.5 1
  118.100 32173299.5 999
  136.300 14851.5 1
//