ACCESSION: MSBNK-Keio_Univ-KO003058
RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-001i-9000000000-ffcb71d851f251f1292f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39.100 69307.0 17
  41.000 108911.0 27
  42.800 59406.0 15
  54.200 485149.0 122
  55.400 405941.0 102
  56.200 2232675.5 560
  66.000 1267328.0 318
  67.200 217822.0 55
  68.200 341584.5 86
  69.200 282178.5 71
  77.300 24752.5 6
  81.100 3980202.0 999
  82.100 3747528.5 941
  83.100 3851489.0 967
  91.300 34653.5 9
  93.000 1722774.0 432
  94.900 143564.5 36
  109.400 19802.0 5
  110.300 232673.5 58
//