MassBank Record: KO008834

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Amiloride; LC-ESI-IT; MS3; m/z: 230/189; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO008834
RECORD_TITLE: Amiloride; LC-ESI-IT; MS3; m/z: 230/189; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A225
COMMENT: [MS2] KO008833

CH$NAME: Amiloride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8ClN7O
CH$EXACT_MASS: 229.04788999999999532519723288714885711669921875
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: COMPTOX DTXSID9043853
CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N
CH$LINK: KEGG C06821
CH$LINK: PUBCHEM 9039

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.75/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 230/189
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-00di-0900000000-a76fa198e6f147ebf51f
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  161.1 9.77 4
  171.0 2555.86 999
  172.0 66.60 26
  173.0 33.07 13
  189.0 905.40 354
  190.1 25.84 10
  190.9 27.38 11
  191.7 2.46 1
  192.6 8.61 3
  194.8 3.39 1
  196.6 2.15 1
  202.9 4.08 2
  244.1 2.85 1
//