ACCESSION: MSBNK-Keio_Univ-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
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 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
//