MassBank Record: KO003138



 Histidinol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003138
RECORD_TITLE: Histidinol; LC-ESI-QQ; MS2; CE:10 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 H069

CH$NAME: Histidinol CH$NAME: L-Histidinol CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H11N3O CH$EXACT_MASS: 141.09021 CH$SMILES: C1=C(NC=N1)C[C@@H](CO)N CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 CH$LINK: KEGG C00860 CH$LINK: PUBCHEM SID:4117
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 142 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0900000000-3a563827d1023d4dadd7 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 50.200 54455.5 1 53.900 14851.5 1 60.200 19802.0 1 61.400 49505.0 1 69.200 430693.5 1 71.200 29703.0 1 73.900 386139.0 1 78.000 1460397.5 5 79.800 54455.5 1 80.900 2351487.5 7 82.300 118812.0 1 83.200 727723.5 2 91.800 39604.0 1 95.000 1396041.0 4 97.200 59406.0 1 97.800 54455.5 1 105.900 118812.0 1 107.200 846535.5 3 109.800 54455.5 1 110.500 94059.5 1 124.200 48752524.0 155 125.200 4371291.5 14 141.400 123762.5 1 142.300 314792394.0 999 //