ACCESSION: MSBNK-Keio_Univ-KO003057
RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-001i-9100000000-7aeaadf1d0b73479e267
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  40.800 217822.0 13
  41.800 123762.5 7
  43.200 59406.0 4
  54.100 257426.0 15
  55.000 297030.0 18
  56.200 3069310.0 181
  65.900 1019803.0 60
  66.900 267327.0 16
  68.100 1405942.0 83
  69.200 693070.0 41
  73.600 29703.0 2
  76.900 79208.0 5
  77.900 74257.5 4
  79.300 84158.5 5
  81.000 4544559.0 268
  82.100 7688126.5 453
  83.200 16950512.0 999
  92.100 148515.0 9
  93.100 9128722.0 538
  93.800 108911.0 6
  95.200 1123763.5 66
  96.900 69307.0 4
  108.800 64356.5 4
  110.100 5737629.5 338
  111.300 163366.5 10
  118.900 14851.5 1
  120.900 29703.0 2
  138.200 29703.0 2
//