MassBank Record: KO002626



 Cyprodinil; 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: KO002626
RECORD_TITLE: Cyprodinil; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 226 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9400000000-c7e923496f3dbedce541 PK$NUM_PEAK: 102 PK$PEAK: m/z int. rel.int. 41.100 193069.5 15 42.300 371287.5 29 44.100 84158.5 7 51.100 44554.5 4 53.100 163366.5 13 53.900 34653.5 3 55.400 99010.0 8 56.300 89109.0 7 64.100 49505.0 4 65.100 3019805.0 239 66.100 589109.5 47 66.900 1777229.5 141 68.200 1079209.0 86 75.100 59406.0 5 77.100 5995055.5 475 78.200 638614.5 51 79.100 3574261.0 283 80.000 1485150.0 118 81.000 1608912.5 128 82.200 599010.5 47 83.300 123762.5 10 84.100 217822.0 17 89.100 717822.5 57 90.300 212871.5 17 91.000 5935649.5 470 92.000 2975250.5 236 93.100 12603973.0 999 94.100 549505.5 44 95.100 420792.5 33 96.100 108911.0 9 99.200 34653.5 3 100.800 19802.0 2 102.000 173267.5 14 102.400 113861.5 9 104.200 702971.0 56 105.200 282178.5 22 106.400 2539606.5 201 107.300 712872.0 57 108.200 2500002.5 198 109.300 168317.0 13 109.800 44554.5 4 115.100 400990.5 32 116.200 797030.5 63 117.100 1163367.5 92 118.200 3757429.5 298 119.300 1589110.5 126 120.100 59406.0 5 121.100 54455.5 4 123.000 49505.0 4 124.200 29703.0 2 127.000 59406.0 5 128.200 173267.5 14 129.100 103960.5 8 130.200 123762.5 10 131.100 935644.5 74 132.000 752476.0 60 133.000 321782.5 26 134.800 34653.5 3 139.400 49505.0 4 140.100 183168.5 15 141.300 123762.5 10 143.200 638614.5 51 144.200 202970.5 16 145.100 202970.5 16 148.200 123762.5 10 152.000 59406.0 5 153.200 74257.5 6 154.000 74257.5 6 154.600 44554.5 4 156.100 113861.5 9 157.000 133663.5 11 158.300 138614.0 11 159.100 49505.0 4 164.900 133663.5 11 166.300 183168.5 15 167.200 653466.0 52 168.000 376238.0 30 169.500 237624.0 19 170.800 64356.5 5 179.200 34653.5 3 180.100 153465.5 12 181.400 257426.0 20 182.200 301980.5 24 183.200 242574.5 19 184.000 103960.5 8 185.200 64356.5 5 191.600 99010.0 8 193.500 915842.5 73 194.500 346535.0 27 195.000 54455.5 4 196.100 113861.5 9 197.200 133663.5 11 198.100 69307.0 5 199.300 29703.0 2 206.100 123762.5 10 207.400 500000.5 40 208.300 138614.0 11 209.300 99010.0 8 210.500 524753.0 42 211.100 29703.0 2 224.200 173267.5 14 226.200 143564.5 11 //