ACCESSION: MSBNK-EPA-ENTACT_AGILENT002374
RECORD_TITLE: dl-Tryptophan; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: dl-Tryptophan
CH$NAME: DTXSID0021418
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂O₂
CH$EXACT_MASS: 204.0898776422
CH$SMILES: NC(CC1=CNC2=CC=CC=C21)C(O)=O
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: CAS 54-12-6
CH$LINK: INCHIKEY QIVBCDIJIAJPQS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:1148

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 205.0971540939
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0900000000-c186058895172e10b8aa
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  91.054227 1.322015 13
  118.065126 3.815413 38
  132.080776 1.572106 15
  142.065126 1.259078 12
  143.072951 1.896252 18
  144.080776 10.14576 101
  146.06004 24.301151 242
  159.091675 2.430636 24
  170.06004 1.762858 17
  188.070605 100.000002 999
  205.097154 6.017562 60
//