ACCESSION: MSBNK-IPB_Halle-PB001401
RECORD_TITLE: 5-Hydroxytryptophan; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.05.25, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 581
COMMENT: CONFIDENCE confident structure

CH$NAME: 5-Hydroxytryptophan
CH$NAME: 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CH$COMPOUND_CLASS: Natural Product; Amino acid
CH$FORMULA: C₁₁H₁₂N₂O₃
CH$EXACT_MASS: 220.08479
CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N
CH$IUPAC: InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)
CH$LINK: INCHIKEY LDCYZAJDBXYCGN-UHFFFAOYSA-N
CH$LINK: KEGG C00643
CH$LINK: PUBCHEM CID:144

AC$INSTRUMENT: API QSTAR Pulsar i
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0090000000-44c37ec15a5546b1c353
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  71.082 52.037 4
  85.094 30.449 2
  111.082 31.163 2
  139.064 60.363 5
  161.107 49.390 3
  162.053 698.484 68
  165.111 40.529 3
  175.082 200.178 19
  204.065 10000.000 999
  205.072 319.358 30
  221.095 819.506 80
//