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MassBank Record: KO000961

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)

ACCESSION: KO000961
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: (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
CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID9023126

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 154
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00l6-9000000000-ebf778679d4c6d6a6057
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  66.100 297030.0 145
  67.100 851486.0 417
  71.900 222772.5 109
  74.200 69307.0 34
  79.000 34653.5 17
  80.000 683169.0 335
  81.100 544555.0 267
  91.800 34653.5 17
  93.100 2039606.0 999
  110.400 54455.5 27
  118.100 29703.0 15
//

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