MassBank Record: KO003165



 Methenamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003165
RECORD_TITLE: Methenamine; LC-ESI-QQ; MS2; CE:40 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$EXACT_MASS: 140.10620 CH$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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 141 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-9000000000-fd4edf8f48f9c42bca0c PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 42.200 4331687.5 372 44.200 485149.0 42 50.900 158416.0 14 51.300 34653.5 3 58.100 178218.0 15 68.800 29703.0 3 71.000 277228.0 24 78.000 11618823.5 999 83.000 103960.5 9 85.200 727723.5 63 96.000 1470298.5 126 98.000 49505.0 4 105.900 64356.5 6 112.200 509901.5 44 141.200 34653.5 3 //