MassBank Record: KO002397



 Amiloride; 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: KO002397
RECORD_TITLE: Amiloride; 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 A225

CH$NAME: Amiloride CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H8ClN7O CH$EXACT_MASS: 229.04789 CH$SMILES: NC(=N)NC(=O)c(n1)c(N)nc(N)c(Cl)1 CH$IUPAC: InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15) CH$LINK: CAS 2609-46-3 CH$LINK: KEGG C06821 CH$LINK: NIKKAJI J9.514A CH$LINK: PUBCHEM SID:9039
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 230 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-02t9-8900000000-7f66a60319e15df262c2 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 43.000 113861.5 51 55.200 84158.5 38 60.100 1747526.5 787 62.000 153465.5 69 64.000 361386.5 163 69.200 69307.0 31 74.000 133663.5 60 85.700 34653.5 16 88.900 519802.5 234 91.100 267327.0 120 94.900 84158.5 38 100.900 351485.5 158 105.900 29703.0 13 108.200 564357.0 254 115.000 19802.0 9 116.200 2217824.0 999 143.000 361386.5 163 161.100 39604.0 18 //