MassBank Record: KO003139



 Histidinol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003139
RECORD_TITLE: Histidinol; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 142 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00e9-7900000000-4baa9781af4596ef1a49 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 38.900 24752.5 1 44.000 386139.0 5 56.000 336634.0 4 60.000 1410892.5 17 69.200 1698021.5 21 74.000 257426.0 3 79.100 49505.0 1 80.000 891090.0 11 81.100 70277298.0 859 82.200 168317.0 2 83.200 8544563.0 104 91.400 34653.5 1 95.100 22019824.0 269 97.000 990100.0 12 97.800 59406.0 1 99.000 79208.0 1 107.200 5727728.5 70 108.900 44554.5 1 109.500 24752.5 1 110.000 19802.0 1 124.200 81747606.5 999 125.100 13049518.0 159 140.200 29703.0 1 142.100 25465372.0 311 //