MassBank Record: KO003157



 Eflornithine; 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: KO003157
RECORD_TITLE: Eflornithine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 183 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00e9-9300000000-3f52c4f986a5917af0ff PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 40.900 64356.5 11 42.000 64356.5 11 43.200 64356.5 11 46.600 59406.0 10 48.000 44554.5 8 51.200 222772.5 38 53.100 599010.5 103 54.000 108911.0 19 59.000 183168.5 32 66.100 143564.5 25 67.000 163366.5 28 68.200 613862.0 106 69.200 2232675.5 384 70.200 2242576.5 386 71.800 64356.5 11 73.100 2990102.0 514 76.800 272277.5 47 78.000 1198021.0 206 80.100 5806936.5 999 83.000 128713.0 22 85.100 158416.0 27 91.100 59406.0 10 95.700 19802.0 3 98.200 232673.5 40 98.400 29703.0 5 100.000 1490100.5 256 102.800 44554.5 8 118.000 143564.5 25 119.000 99010.0 17 120.300 4326737.0 744 //