MassBank Record: KO002887



 Fusaric acid; 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: KO002887
RECORD_TITLE: Fusaric acid; 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 F013

CH$NAME: Butyl pyridine-2-carboxylate CH$NAME: 2-Pyridinecarboxylic acid, butyl ester CH$NAME: Butyl 2-pyridinecarboxylate CH$NAME: Fusaric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13NO2 CH$EXACT_MASS: 179.09463 CH$SMILES: CCCCc(c1)cnc(c1)C(O)=O CH$IUPAC: InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13) CH$LINK: PUBCHEM SID:10361560
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-9000000000-621a11c9d6f65ea005a5 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 29.100 103960.5 1 39.200 103960.5 1 41.200 2792082.0 35 43.000 59406.0 1 44.900 1103961.5 14 51.200 59406.0 1 55.300 207921.0 3 57.200 2737626.5 34 68.100 49505.0 1 70.200 148515.0 2 74.100 391089.5 5 77.100 64356.5 1 78.000 79539683.5 999 79.000 74257.5 1 79.900 460396.5 6 84.000 321782.5 4 87.800 39604.0 1 89.300 29703.0 1 91.200 69307.0 1 96.100 18455464.0 232 97.900 34653.5 1 105.100 44554.5 1 106.000 4193073.5 53 111.300 24752.5 1 115.000 29703.0 1 117.200 39604.0 1 124.000 792080.0 10 131.300 34653.5 1 137.000 19802.0 1 148.100 9901.0 1 //