MassBank Record: KO003058



 L-Histidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003058
RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 156 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-ffcb71d851f251f1292f PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 39.100 69307.0 17 41.000 108911.0 27 42.800 59406.0 15 54.200 485149.0 122 55.400 405941.0 102 56.200 2232675.5 560 66.000 1267328.0 318 67.200 217822.0 55 68.200 341584.5 86 69.200 282178.5 71 77.300 24752.5 6 81.100 3980202.0 999 82.100 3747528.5 941 83.100 3851489.0 967 91.300 34653.5 9 93.000 1722774.0 432 94.900 143564.5 36 109.400 19802.0 5 110.300 232673.5 58 //