MassBank Record: KO003154



 Eflornithine; 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: KO003154
RECORD_TITLE: Eflornithine; 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 H097

CH$NAME: Eflornithine CH$NAME: DL-Ornithine, 2-(difluoromethyl)- CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12F2N2O2 CH$EXACT_MASS: 182.08668 CH$SMILES: NCCCC(N)(C(O)=O)C(F)F CH$IUPAC: InChI=1S/C6H12F2N2O2/c7-4(8)6(10,5(11)12)2-1-3-9/h4H,1-3,9-10H2,(H,11,12) CH$LINK: CAS 67037-37-0 CH$LINK: CHEBI 4761 CH$LINK: CHEMPDB DMO CH$LINK: KEGG C07997 CH$LINK: NIKKAJI J290.818B CH$LINK: PUBCHEM SID:10198
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 183 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00xr-0900000000-9a7e6cedd31e8d4feff3 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 63.000 232673.5 4 73.300 49505.0 1 76.800 54455.5 1 78.600 39604.0 1 80.000 84158.5 1 81.000 34653.5 1 82.900 39604.0 1 90.600 14851.5 1 99.000 29703.0 1 100.000 94059.5 2 101.800 44554.5 1 104.900 1470298.5 25 108.800 19802.0 1 114.900 19802.0 1 120.100 59366396.0 999 121.200 54455.5 1 122.100 227723.0 4 122.900 163366.5 3 132.900 34653.5 1 137.300 44554.5 1 145.900 19802.0 1 147.200 118812.0 2 165.400 2569309.5 43 166.300 48054503.5 809 183.300 2554458.0 43 //