MassBank Record: KO000959



 L-Histidine; 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: KO000959
RECORD_TITLE: L-Histidine; 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 H002

CH$NAME: His CH$NAME: (S)-alpha-Amino-1H-imidazole-4-propionic acid CH$NAME: L-Histidine CH$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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 154 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udu-3900000000-88bbc00d1f044650dd14 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 41.600 19802.0 1 59.600 14851.5 1 65.800 34653.5 3 67.000 262376.5 20 72.100 935644.5 71 74.000 113861.5 9 79.900 841585.0 64 81.100 1480199.5 112 93.100 9693079.0 733 108.300 1351486.5 102 109.100 737624.5 56 110.000 2792082.0 211 118.200 534654.0 40 135.700 2287131.0 173 136.900 9678227.5 732 154.000 13202983.5 999 //