MassBank Record: KO002395



 Amiloride; 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: KO002395
RECORD_TITLE: Amiloride; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 230 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-3900000000-9e3a3741c916f113d456 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 42.900 44554.5 5 60.100 4257430.0 439 61.100 24752.5 3 69.000 148515.0 15 74.100 34653.5 4 83.100 183168.5 19 86.000 311881.5 32 87.300 29703.0 3 91.400 702971.0 72 92.800 24752.5 3 94.300 19802.0 2 94.900 49505.0 5 97.900 39604.0 4 98.700 54455.5 6 100.300 287129.0 30 101.200 54455.5 6 105.900 54455.5 6 107.300 34653.5 4 111.100 19802.0 2 112.100 415842.0 43 116.200 1044555.5 108 119.100 128713.0 13 124.200 133663.5 14 124.700 118812.0 12 137.900 19802.0 2 138.800 14851.5 2 143.200 2123764.5 219 144.500 14851.5 2 149.200 34653.5 4 153.500 24752.5 3 157.200 24752.5 3 159.800 19802.0 2 161.200 782179.0 81 165.800 49505.0 5 171.000 9688128.5 999 188.000 19802.0 2 189.100 767327.5 79 196.200 54455.5 6 198.400 49505.0 5 213.500 44554.5 5 230.100 287129.0 30 //