MassBank Record: KO002624



 Cyprodinil; 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: KO002624
RECORD_TITLE: Cyprodinil; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 226 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0290000000-88482c33019c893eab43 PK$NUM_PEAK: 103 PK$PEAK: m/z int. rel.int. 42.300 34653.5 1 44.800 34653.5 1 50.100 24752.5 1 64.900 94059.5 1 67.000 366337.0 2 68.200 128713.0 1 69.100 64356.5 1 73.200 39604.0 1 74.600 29703.0 1 76.300 108911.0 1 77.000 128713.0 1 79.300 524753.0 3 80.000 430693.5 3 80.800 603961.0 4 82.100 519802.5 3 83.400 123762.5 1 84.200 277228.0 2 85.200 29703.0 1 87.100 24752.5 1 89.100 34653.5 1 91.100 2103962.5 13 92.000 1841586.0 11 93.000 3440597.5 21 94.100 341584.5 2 95.000 217822.0 1 96.000 59406.0 1 97.900 39604.0 1 98.800 49505.0 1 100.900 143564.5 1 102.800 178218.0 1 103.800 207921.0 1 105.300 138614.0 1 106.200 3574261.0 22 107.000 554456.0 3 108.100 10613872.0 66 109.100 1396041.0 9 114.900 59406.0 1 116.200 1123763.5 7 117.000 995050.5 6 118.100 3237627.0 20 119.000 3500003.5 22 120.300 138614.0 1 121.100 153465.5 1 123.200 1118813.0 7 123.800 84158.5 1 125.000 59406.0 1 127.100 34653.5 1 127.400 79208.0 1 129.400 39604.0 1 129.900 143564.5 1 131.000 831684.0 5 131.900 801981.0 5 133.100 4054459.5 25 134.100 188119.0 1 135.300 153465.5 1 135.500 24752.5 1 137.100 123762.5 1 138.900 59406.0 1 140.200 24752.5 1 142.200 440594.5 3 143.300 1000001.0 6 144.200 3173270.5 20 145.100 663367.0 4 148.000 44554.5 1 149.000 207921.0 1 151.500 64356.5 1 153.200 39604.0 1 154.000 44554.5 1 156.300 69307.0 1 157.000 168317.0 1 158.300 336634.0 2 159.200 1108912.0 7 162.900 89109.0 1 165.100 148515.0 1 166.100 99010.0 1 167.300 514852.0 3 168.300 851486.0 5 169.400 633664.0 4 170.100 123762.5 1 171.300 168317.0 1 173.300 49505.0 1 181.100 237624.0 1 182.300 405941.0 3 183.300 633664.0 4 184.300 1896041.5 12 185.100 2480200.5 15 191.200 168317.0 1 192.300 153465.5 1 193.200 277228.0 2 194.300 990100.0 6 195.300 79208.0 1 196.500 198020.0 1 197.100 544555.0 3 198.200 806931.5 5 199.400 237624.0 1 207.200 376238.0 2 208.200 351485.5 2 209.100 3549508.5 22 210.100 2792082.0 17 211.200 1376239.0 9 224.200 693070.0 4 225.300 148515.0 1 226.400 160658576.5 999 //