ACCESSION: MSBNK-EPA-ENTACT_AGILENT002375
RECORD_TITLE: dl-Tryptophan; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0002-0900000000-4b84cf8f87d1fdd97ba0
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  43.017841 1.710723 17
  58.065126 1.461408 14
  62.06004 1.252401 12
  74.023655 4.001472 39
  91.054227 3.125485 31
  117.057301 1.175405 11
  117.065854 3.60995 36
  118.065126 36.047038 360
  130.065126 4.718701 47
  132.080776 10.592984 105
  142.065126 5.218559 52
  143.072951 4.721658 47
  144.080776 33.436715 334
  146.06004 99.999996 999
  159.091675 10.348026 103
  170.06004 9.217037 92
  188.070605 20.685257 206
//