ACCESSION: MSBNK-IPB_Halle-PB006084
RECORD_TITLE: Tryptophan; LC-ESI-QTOF; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00kg-0900000000-b1fdf0c754d5a54a9297
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  115.053 1021.021 101
  116.056 150.150 14
  117.058 1281.281 127
  118.064 6106.106 609
  119.067 570.571 56
  126.046 10.010 0
  127.053 260.260 25
  128.052 160.160 15
  129.055 30.030 2
  130.064 1341.341 133
  131.068 200.200 19
  132.079 2512.512 250
  133.082 230.230 22
  140.048 90.090 8
  141.055 40.040 3
  142.064 2122.122 211
  143.071 4124.124 411
  144.079 4224.224 421
  145.075 460.460 45
  145.967 10.010 0
  146.059 10000.000 999
  147.062 940.941 93
  148.065 20.020 1
  158.082 70.070 6
  159.090 1381.381 137
  160.078 330.330 32
  161.074 20.020 1
  170.058 2272.272 226
  171.061 230.230 22
  188.069 670.671 66
  189.071 90.090 8
//