MassBank Record: KO000960



 L-Histidine; 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: KO000960
RECORD_TITLE: L-Histidine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 154 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9100000000-de7c9eb8068ef4f39f85 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 41.800 44554.5 5 66.100 267327.0 31 67.000 767327.5 89 72.000 816832.5 94 73.700 232673.5 27 80.100 2069309.0 239 81.100 1559407.5 180 83.500 9901.0 1 90.700 14851.5 2 93.200 8653474.0 999 94.100 39604.0 5 108.100 425743.0 49 109.200 168317.0 19 110.200 579208.5 67 117.900 217822.0 25 136.100 99010.0 11 137.000 1049506.0 121 154.200 262376.5 30 //