MassBank Record: KO003164

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Methenamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003164
RECORD_TITLE: Methenamine; 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 H112

CH$NAME: Hexamethylene tetramine
CH$NAME: Methenamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12N4
CH$EXACT_MASS: 140.1062
CH$SMILES: C(N23)N(C1)CN(C3)CN(C2)1
CH$IUPAC: InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
CH$LINK: COMPTOX DTXSID6020692
CH$LINK: INCHIKEY VKYKSIONXSXAKP-UHFFFAOYSA-N
CH$LINK: KEGG C07176

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$FOCUSED_ION: PRECURSOR_M/Z 141
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-01ti-9300000000-7eb44254c8cc65c09acd
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  42.0 2866340.0 194.0
  43.9 608912.0 41.0
  58.3 806932.0 55.0
  69.1 500000.0 34.0
  71.0 2371290.0 161.0
  78.0 1.47228E7 999.0
  78.8 94059.5 6.0
  83.2 193070.0 13.0
  85.1 8237630.0 559.0
  96.0 4608920.0 313.0
  98.1 1425740.0 97.0
  106.2 2183170.0 148.0
  112.1 8945550.0 607.0
  123.9 386139.0 26.0
  141.0 1831680.0 124.0
//