MassBank Record: KO000699



 N-Ethylglutamine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000699
RECORD_TITLE: N-Ethylglutamine; 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 E005

CH$NAME: N-Ethylglutamine CH$NAME: N5-Ethyl-L-glutamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14N2O3 CH$EXACT_MASS: 174.10044 CH$SMILES: CCNC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1 CH$LINK: CHEBI 17394 CH$LINK: KEGG C01047 CH$LINK: PUBCHEM SID:4289
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 173 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-0900000000-5d75f1c18d21692a3a7a PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 84.100 59406.0 1 84.900 24752.5 1 99.400 29703.0 1 106.800 19802.0 1 115.100 34653.5 1 126.800 59406.0 1 128.200 381188.5 6 129.200 396040.0 6 147.200 79208.0 1 154.300 29703.0 1 155.000 3797033.5 59 173.100 64371351.5 999 //