MassBank Record: KO003055

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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)

ACCESSION: KO003055
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: L-Histidine
CH$NAME: (S)-alpha-Amino-1H-imidazole-4-propionic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H9N3O2
CH$EXACT_MASS: 155.0694799999999986539478413760662078857421875
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: COMPTOX DTXSID9023126
CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N
CH$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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 156
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-1900000000-93b0baded5b5f54aca17
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  55.400 14851.5 1
  57.800 24752.5 1
  68.000 128713.0 1
  69.100 633664.0 5
  71.900 44554.5 1
  79.300 64356.5 1
  80.800 237624.0 2
  82.200 891090.0 8
  83.300 3757429.5 32
  92.100 29703.0 1
  93.100 2351487.5 20
  95.200 7183175.5 62
  97.000 118812.0 1
  109.200 44554.5 1
  110.300 116163482.5 999
  111.300 475248.0 4
  112.000 118812.0 1
  113.300 74257.5 1
  121.000 480198.5 4
  137.900 732674.0 6
  139.200 2504953.0 22
  156.100 9896049.5 85
//