MassBank Record: KO000702



 N-Ethylglutamine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000702
RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 173 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0089-9000000000-cd51416fce1d90ca5a32 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 41.200 74257.5 227 42.300 128713.0 394 44.100 39604.0 121 54.100 54455.5 167 58.300 198020.0 605 58.800 39604.0 121 68.800 19802.0 61 72.300 94059.5 288 73.800 237624.0 727 81.200 19802.0 61 82.000 202970.5 621 84.200 326733.0 999 86.100 252475.5 772 99.300 59406.0 182 100.300 69307.0 212 109.000 14851.5 45 125.300 79208.0 242 125.900 19802.0 61 //