MassBank Record: KO000884



 Glu-Glu; 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: KO000884
RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G043

CH$NAME: Glu-Glu CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16N2O7 CH$EXACT_MASS: 276.09575 CH$SMILES: OC(=O)CCC(N)C(=O)NC(CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 CH$LINK: CAS 3929-61-1 CH$LINK: KEGG C01425 CH$LINK: NIKKAJI J364.668H CH$LINK: PUBCHEM SID:4610
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 275 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0960000000-728dc6f8611998438e9f PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 59.000 1242575.5 68 81.900 24752.5 1 84.200 29703.0 2 99.100 39604.0 2 100.100 59406.0 3 101.600 113861.5 6 102.000 643565.0 35 109.200 148515.0 8 110.200 29703.0 2 110.900 495050.0 27 126.700 455446.0 25 127.900 18326751.0 999 128.600 455446.0 25 141.000 59406.0 3 143.300 34653.5 2 146.100 11851497.0 646 148.700 54455.5 3 151.400 133663.5 7 168.900 410891.5 22 187.400 49505.0 3 193.100 371287.5 20 195.500 529703.5 29 201.700 49505.0 3 213.400 1094060.5 60 231.100 287129.0 16 239.300 2163368.5 118 242.500 59406.0 3 257.200 4990104.0 272 275.200 15297045.0 834 //