ACCESSION: MSBNK-IPB_Halle-PB006082
RECORD_TITLE: Tryptophan; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.03.27, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2721
COMMENT: CONFIDENCE confident structure

CH$NAME: Tryptophan
CH$NAME: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₁H₁₂N₂O₂
CH$EXACT_MASS: 204.08988
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
CH$IUPAC: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N
CH$LINK: PUBCHEM CID:6305
CH$LINK: COMPTOX DTXSID5021419

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-c85ba4facf645f32c4c7
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  115.052 10.010 0
  117.058 30.030 2
  118.064 220.220 21
  119.067 10.010 0
  130.063 60.060 5
  132.079 230.230 22
  133.082 20.020 1
  142.063 60.060 5
  143.071 60.060 5
  144.079 730.731 72
  145.082 60.060 5
  146.058 4034.034 402
  147.062 310.310 30
  159.090 640.641 63
  160.083 80.080 7
  170.058 300.300 29
  171.061 30.030 2
  188.069 10000.000 999
  189.072 990.991 98
  190.075 30.030 2
  205.095 90.090 8
  206.097 10.010 0
//