MassBank Record: KO002821



 N-Ethylglutamine; 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: KO002821
RECORD_TITLE: N-Ethylglutamine; 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 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 175 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a59-4900000000-233828d22b124785b538 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 40.800 19802.0 1 46.000 6896046.5 120 56.500 34653.5 1 61.000 29703.0 1 62.900 103960.5 2 69.200 158416.0 3 70.800 74257.5 1 72.000 272277.5 5 72.500 9901.0 1 76.300 74257.5 1 76.900 54455.5 1 80.600 99010.0 2 83.100 227723.0 4 84.100 40039644.0 696 85.000 584159.0 10 86.200 24752.5 1 86.900 49505.0 1 88.100 168317.0 3 95.400 44554.5 1 97.200 34653.5 1 100.800 29703.0 1 102.100 2039606.0 35 111.300 1049506.0 18 112.300 1069308.0 19 113.700 14851.5 1 115.100 44554.5 1 119.000 34653.5 1 125.000 64356.5 1 128.900 17534671.0 305 130.200 15856451.5 276 138.900 19802.0 1 140.000 267327.0 5 146.200 212871.5 4 157.400 717822.5 12 158.200 57460453.5 999 161.200 24752.5 1 175.100 5772283.0 100 //