MassBank Record: KO002623



 Cyprodinil; 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: KO002623
RECORD_TITLE: Cyprodinil; 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 C172

CH$NAME: Cyprodinil CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H15N3 CH$EXACT_MASS: 225.12660 CH$SMILES: Cc(n2)cc(nc2Nc(c3)cccc3)C(C1)C1 CH$IUPAC: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17) CH$LINK: CAS 121552-61-2 CH$LINK: KEGG C10914 CH$LINK: NIKKAJI J682.437D CH$LINK: PUBCHEM SID:13097
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 226 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0090000000-bf6704c419a85744dd1f PK$NUM_PEAK: 70 PK$PEAK: m/z int. rel.int. 49.900 212871.5 1 67.700 24752.5 1 74.000 54455.5 1 80.100 29703.0 1 80.900 34653.5 1 82.100 39604.0 1 83.400 19802.0 1 89.000 34653.5 1 90.100 29703.0 1 91.100 79208.0 1 91.900 34653.5 1 93.200 39604.0 1 95.100 59406.0 1 97.000 54455.5 1 99.000 39604.0 1 100.000 24752.5 1 101.000 103960.5 1 103.100 103960.5 1 104.700 69307.0 1 105.000 188119.0 1 106.300 133663.5 1 106.800 99010.0 1 107.900 267327.0 1 109.200 133663.5 1 111.200 29703.0 1 115.400 24752.5 1 116.000 19802.0 1 117.900 64356.5 1 119.200 108911.0 1 120.000 163366.5 1 125.200 24752.5 1 130.900 39604.0 1 132.400 24752.5 1 133.100 123762.5 1 135.200 133663.5 1 137.100 118812.0 1 138.700 24752.5 1 141.200 29703.0 1 142.800 49505.0 1 144.100 227723.0 1 145.100 118812.0 1 145.500 39604.0 1 146.400 19802.0 1 148.800 94059.5 1 149.500 34653.5 1 152.000 202970.5 1 152.900 74257.5 1 153.500 59406.0 1 158.200 29703.0 1 158.800 59406.0 1 161.900 34653.5 1 163.100 450495.5 1 166.300 207921.0 1 173.200 59406.0 1 177.000 14851.5 1 181.100 54455.5 1 181.500 14851.5 1 183.000 64356.5 1 185.300 297030.0 1 191.300 1089110.0 3 192.100 34653.5 1 194.000 44554.5 1 196.900 29703.0 1 198.000 69307.0 1 199.200 34653.5 1 209.200 1500001.5 5 210.200 183168.5 1 211.400 89109.0 1 224.500 34653.5 1 226.400 315787444.5 999 //