MassBank Record: KO001367



 N-Methyl-DL-Alanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001367
RECORD_TITLE: N-Methyl-DL-Alanine; 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 M028

CH$NAME: N-Methylalanine CH$NAME: N-Methyl-L-alanine CH$NAME: N-Methyl-DL-Alanine CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H9NO2 CH$EXACT_MASS: 103.06333 CH$SMILES: CNC(C)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1 CH$LINK: CAS 3913-67-5 CH$LINK: CHEBI 17519 CH$LINK: KEGG C02721 CH$LINK: NIKKAJI J130.628F CH$LINK: PUBCHEM SID:5683
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 102 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-0900000000-868e4414610856333410 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 41.800 14851.5 5 56.000 128713.0 41 58.400 29703.0 9 71.700 34653.5 11 84.200 14851.5 5 102.000 3173270.5 999 //