MassBank Record: KO003057



 L-Histidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003057
RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 156 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9100000000-7aeaadf1d0b73479e267 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 40.800 217822.0 13 41.800 123762.5 7 43.200 59406.0 4 54.100 257426.0 15 55.000 297030.0 18 56.200 3069310.0 181 65.900 1019803.0 60 66.900 267327.0 16 68.100 1405942.0 83 69.200 693070.0 41 73.600 29703.0 2 76.900 79208.0 5 77.900 74257.5 4 79.300 84158.5 5 81.000 4544559.0 268 82.100 7688126.5 453 83.200 16950512.0 999 92.100 148515.0 9 93.100 9128722.0 538 93.800 108911.0 6 95.200 1123763.5 66 96.900 69307.0 4 108.800 64356.5 4 110.100 5737629.5 338 111.300 163366.5 10 118.900 14851.5 1 120.900 29703.0 2 138.200 29703.0 2 //