MassBank Record: KO002468



 Blasticidin S; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002468
RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:10 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 B019

CH$NAME: Blasticidin S CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H26N8O5 CH$EXACT_MASS: 422.20262 CH$SMILES: NC(=N)N(C)CC[C@@H](N)CC(=O)N[C@@H](C=2)[C@@H](C(O)=O)O[C@H](C2)N(C=1)C(=O)N=C(N)C1 CH$IUPAC: InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29) CH$LINK: CAS 2079-00-7 CH$LINK: CHEBI 15353 CH$LINK: KEGG C02010 CH$LINK: NIKKAJI J9.250I CH$LINK: PUBCHEM SID:5106
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 423 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0000900000-d247cb54d63cac19bd1b PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 163.100 727723.5 48 179.900 158416.0 10 185.300 257426.0 17 203.100 34653.5 2 207.000 54455.5 4 217.400 153465.5 10 229.400 123762.5 8 243.400 44554.5 3 244.700 49505.0 3 253.200 24752.5 2 260.700 49505.0 3 261.200 787129.5 52 265.100 34653.5 2 268.300 14851.5 1 281.200 19802.0 1 283.000 14851.5 1 293.400 34653.5 2 305.200 118812.0 8 306.300 292079.5 19 308.900 24752.5 2 312.500 321782.5 21 323.500 24752.5 2 334.300 9901.0 1 347.500 277228.0 18 363.400 108911.0 7 378.200 14851.5 1 387.200 34653.5 2 423.600 15108926.0 999 //