MassBank Record: KO003054



 L-Histidine; 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: KO003054
RECORD_TITLE: L-Histidine; 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 H002

CH$NAME: His CH$NAME: L-Histidine CH$NAME: (S)-alpha-Amino-1H-imidazole-4-propionic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H9N3O2 CH$EXACT_MASS: 155.06948 CH$SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)N CH$IUPAC: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1 CH$LINK: CAS 71-00-1 CH$LINK: CHEBI 15971 CH$LINK: CHEMPDB HIS CH$LINK: KEGG C00135 CH$LINK: NIKKAJI J4.881J CH$LINK: PUBCHEM SID:3435
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 156 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0900000000-46c2f608d27f0381a039 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 71.100 118812.0 1 71.800 19802.0 1 81.200 24752.5 1 83.300 282178.5 2 92.100 39604.0 1 92.900 94059.5 1 95.000 727723.5 5 96.100 19802.0 1 99.400 84158.5 1 105.000 19802.0 1 106.000 44554.5 1 106.800 84158.5 1 110.000 21910913.0 163 111.500 29703.0 1 112.200 138614.0 1 120.900 351485.5 3 123.900 158416.0 1 138.000 1118813.0 8 139.100 7554463.0 56 156.200 134326867.0 999 //