MassBank Record: KO002886



 Fusaric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002886
RECORD_TITLE: Fusaric acid; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 180 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-056s-9400000000-ac0792403ae57a729bb6 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 29.300 64356.5 1 40.900 2698022.5 44 43.300 84158.5 1 45.000 1351486.5 22 46.200 118812.0 2 55.300 311881.5 5 57.200 8232681.5 136 59.100 103960.5 2 62.900 74257.5 1 66.800 24752.5 1 69.800 306931.0 5 72.300 158416.0 3 73.200 49505.0 1 73.800 995050.5 16 77.900 60658476.5 999 79.100 74257.5 1 80.000 534654.0 9 84.200 331683.5 5 84.600 49505.0 1 87.700 54455.5 1 88.300 222772.5 4 88.900 480198.5 8 90.600 19802.0 1 94.400 19802.0 1 96.000 33950529.0 559 98.200 138614.0 2 99.300 44554.5 1 100.800 34653.5 1 101.300 49505.0 1 106.000 46757472.5 770 107.100 74257.5 1 111.100 69307.0 1 113.100 64356.5 1 115.400 34653.5 1 117.100 89109.0 1 120.000 19802.0 1 124.200 12559418.5 207 130.200 44554.5 1 133.100 39604.0 1 145.100 69307.0 1 148.200 29703.0 1 155.100 14851.5 1 163.000 69307.0 1 //