MassBank Record: KO000701



 N-Ethylglutamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000701
RECORD_TITLE: N-Ethylglutamine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 173 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9300000000-533425b383afd6ea8b10 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 39.700 14851.5 7 41.800 79208.0 39 54.000 19802.0 10 56.500 49505.0 24 58.100 237624.0 116 59.100 54455.5 27 68.900 29703.0 15 69.800 19802.0 10 71.900 158416.0 78 74.000 1282179.5 628 82.100 1054456.5 516 84.300 2039606.0 999 86.200 1321783.5 647 97.700 44554.5 22 99.100 980199.0 480 100.100 326733.0 160 100.900 94059.5 46 108.700 24752.5 12 110.500 34653.5 17 112.200 301980.5 148 125.000 485149.0 238 125.900 158416.0 78 126.900 693070.0 339 128.400 173267.5 85 129.400 133663.5 65 155.100 747525.5 366 //