ACCESSION: MSBNK-IPB_Halle-PB000415
RECORD_TITLE: Tryptophan; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 253
COMMENT: CONFIDENCE confident structure

CH$NAME: Tryptophan
CH$NAME: 2-amino-3-(1H-indol-3-yl)propanoic acid
CH$COMPOUND_CLASS: Natural Product; amino acid
CH$FORMULA: C₁₁H₁₂N₂O₂
CH$EXACT_MASS: 204.08988
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
CH$IUPAC: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
CH$LINK: INCHIKEY QIVBCDIJIAJPQS-UHFFFAOYSA-N
CH$LINK: KEGG C00078
CH$LINK: PUBCHEM CID:1148
CH$LINK: COMPTOX DTXSID0021418

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$SPLASH: splash10-000i-0900000000-6498c5755ea113ab1f07
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  57.071 76.827 6
  118.068 60.239 5
  132.081 95.535 8
  144.082 94.911 8
  146.062 695.809 68
  149.025 544.338 53
  159.094 258.980 24
  188.073 10000.000 999
  189.077 170.866 16
  205.100 1050.574 104
//