MassBank Record: KO003054

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L-Histidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003054
RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0a4i-0900000000-46c2f608d27f0381a039
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  71.100 118812.0 1
  71.800 19802.0 1
  81.200 24752.5 1
  83.300 282178.5 2
  92.100 39604.0 1
  92.900 94059.5 1
  95.000 727723.5 5
  96.100 19802.0 1
  99.400 84158.5 1
  105.000 19802.0 1
  106.000 44554.5 1
  106.800 84158.5 1
  110.000 21910913.0 163
  111.500 29703.0 1
  112.200 138614.0 1
  120.900 351485.5 3
  123.900 158416.0 1
  138.000 1118813.0 8
  139.100 7554463.0 56
  156.200 134326867.0 999
//