MassBank Record: KO000887



 Glu-Glu; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000887
RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 275 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-5900000000-1cb31eaf7a55d9e22955 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 42.100 217822.0 81 44.200 34653.5 13 51.500 14851.5 6 54.400 202970.5 76 56.000 29703.0 11 59.000 698020.5 260 67.100 227723.0 85 70.700 108911.0 41 72.200 9901.0 4 82.200 519802.5 194 84.100 698020.5 260 85.000 118812.0 44 85.900 39604.0 15 99.100 29703.0 11 101.300 321782.5 120 102.200 2678220.5 999 108.500 24752.5 9 109.100 168317.0 63 111.200 69307.0 26 112.900 54455.5 20 124.300 14851.5 6 126.800 559406.5 209 128.200 896040.5 334 141.300 19802.0 7 145.900 84158.5 31 //