ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011332
RECORD_TITLE: DL-HISTIDINE MONOHYDROCHLORIDE MONOHYDRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DL-HISTIDINE MONOHYDROCHLORIDE MONOHYDRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂ClN₃O₃
CH$EXACT_MASS: 209.05672
CH$SMILES: C1=C(NC=N1)CC(C(=O)O)N.O.Cl
CH$IUPAC: InChI=1S/C6H9N3O2.ClH.H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H;1H2
CH$LINK: INCHIKEY CMXXUDSWGMGYLZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30990687

AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001r-9100000000-f78e213f7e87829d7644
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  17 1.65 17
  18 7.22 72
  36 52.52 525
  38 17.05 171
  81 4.7 47
  82 99.99 999
  83 5.42 54
  94 1.97 20
  109 1.33 13
  110 17.24 172
  111 3.28 33
  155 4.91 49
  156 2.7 27
//