ACCESSION: MSBNK-Keio_Univ-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
CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9043853

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
//