MassBank Record: KO003140



 Histidinol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003140
RECORD_TITLE: Histidinol; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 142 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-98f4a65357b52f544e0c PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 38.800 29703.0 1 42.200 99010.0 1 42.900 69307.0 1 44.100 698020.5 7 53.100 74257.5 1 54.200 435644.0 4 55.800 89109.0 1 56.100 292079.5 3 57.200 44554.5 1 58.300 39604.0 1 60.100 4702975.0 46 67.200 89109.0 1 68.000 1618813.5 16 69.100 970298.0 9 73.900 74257.5 1 77.800 64356.5 1 80.100 2673270.0 26 81.100 102846637.5 999 82.200 2242576.5 22 83.000 10569317.5 103 86.200 34653.5 1 90.900 133663.5 1 91.500 24752.5 1 92.900 128713.0 1 95.200 26381214.5 256 96.300 212871.5 2 97.100 970298.0 9 98.200 207921.0 2 98.900 118812.0 1 107.000 3242577.5 31 109.100 198020.0 2 124.100 4866341.5 47 124.900 1732675.0 17 142.200 1173268.5 11 //