ACCESSION: MSBNK-RIKEN_ReSpect-PT102750
RECORD_TITLE: L-His-ol, L-Histidinol dihydrochloride, (2S)-2-amino-3-(3H-imidazol-4-yl)propan-1-ol, beta-Aminoimidazole-4-propanol dihydrochloride, (S)-2-Amino-3-(4-imidazolyl)propanol dihydrochloride; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: L-His-ol
CH$NAME: L-Histidinol dihydrochloride
CH$NAME: (2S)-2-amino-3-(3H-imidazol-4-yl)propan-1-ol
CH$NAME: beta-Aminoimidazole-4-propanol dihydrochloride
CH$NAME: (S)-2-Amino-3-(4-imidazolyl)propanol dihydrochloride
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Histidinol
CH$FORMULA: C₆H₁₁N₃O
CH$EXACT_MASS: 141.174
CH$SMILES: C1=C(NC=N1)CC(CO)N
CH$IUPAC: InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)
CH$LINK: CAS 4836-52-6
CH$LINK: INCHIKEY ZQISRDCJNBUVMM-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 142.09801

PK$SPLASH: splash10-0089-8900000000-b7fa72e4e20dbc5d79d2
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  81.0452 749.9 999
  95.0611 223.5 298
  124.0872 584.9 779
  125.0722 102.8 137
  142.098 345.1 460
//