ACCESSION: MSBNK-Keio_Univ-KO003056
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: L-Histidine
CH$NAME: (S)-alpha-Amino-1H-imidazole-4-propionic acid
CH$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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

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

PK$SPLASH: splash10-03e9-9800000000-a3c782d1535ae8b0d1c1
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  41.200 24752.5 1
  43.100 44554.5 1
  44.900 19802.0 1
  55.400 123762.5 3
  56.200 613862.0 14
  57.000 59406.0 1
  66.000 133663.5 3
  68.100 1485150.0 34
  69.200 1024753.5 23
  71.300 34653.5 1
  73.500 99010.0 2
  78.200 39604.0 1
  79.000 94059.5 2
  81.000 1940596.0 44
  82.200 5757431.5 132
  83.200 20207941.0 463
  90.800 44554.5 1
  91.700 99010.0 2
  93.000 12876250.5 295
  93.900 99010.0 2
  95.200 4846539.5 111
  96.900 143564.5 3
  105.000 44554.5 1
  106.800 19802.0 1
  109.200 138614.0 3
  110.200 43599053.5 999
  111.200 589109.5 13
  113.100 44554.5 1
  121.400 138614.0 3
  138.200 222772.5 5
  139.400 301980.5 7
  156.200 69307.0 2
//