MassBank Record: KO002394



 Amiloride; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002394
RECORD_TITLE: Amiloride; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 230 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0089-1790000000-9f966f1f1f39d074086a PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 60.000 1202971.5 81 60.900 34653.5 2 62.800 24752.5 2 68.700 59406.0 4 69.200 14851.5 1 74.100 49505.0 3 80.500 14851.5 1 83.200 148515.0 10 85.000 49505.0 3 86.200 564357.0 38 86.800 24752.5 2 90.900 826733.5 56 94.800 24752.5 2 96.800 79208.0 5 98.900 54455.5 4 100.100 346535.0 23 105.300 94059.5 6 105.900 54455.5 4 107.200 34653.5 2 109.300 24752.5 2 111.300 54455.5 4 112.200 410891.5 28 112.900 74257.5 5 118.800 202970.5 14 120.900 34653.5 2 124.100 79208.0 5 138.900 44554.5 3 142.700 123762.5 8 151.800 79208.0 5 152.800 59406.0 4 154.300 19802.0 1 155.000 14851.5 1 157.100 74257.5 5 160.200 64356.5 4 161.100 49505.0 3 165.900 79208.0 5 169.200 39604.0 3 169.900 188119.0 13 171.000 9396049.0 636 174.400 34653.5 2 177.300 49505.0 3 185.500 49505.0 3 188.200 500000.5 34 189.400 737624.5 50 192.500 212871.5 14 198.400 39604.0 3 213.200 1049506.0 71 230.200 14762391.0 999 //