MassBank Record: KO000700



 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: KO000700
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 173 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-1900000000-30f94d8454c885920222 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 57.300 34653.5 2 59.100 64356.5 4 71.800 54455.5 3 74.000 1089110.0 62 82.100 831684.0 47 84.300 3173270.5 180 84.800 89109.0 5 86.100 801981.0 45 91.100 49505.0 3 97.400 24752.5 1 97.900 158416.0 9 99.200 742575.0 42 100.100 188119.0 11 100.700 148515.0 8 101.400 24752.5 1 109.100 74257.5 4 110.000 74257.5 4 111.000 74257.5 4 112.000 658416.5 37 125.100 306931.0 17 126.000 252475.5 14 126.900 3064359.5 174 128.000 3108914.0 176 129.200 2094061.5 119 137.600 64356.5 4 152.800 64356.5 4 155.200 17613879.0 999 173.300 7306938.0 414 //