ACCESSION: MSBNK-IPB_Halle-PB006083
RECORD_TITLE: Tryptophan; LC-ESI-QTOF; MS2; CE:15 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$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-0900000000-a765305b14a15909ae5b
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  115.053 130.130 12
  116.055 20.020 1
  117.058 240.240 23
  118.064 1631.632 162
  119.067 140.140 13
  127.052 40.040 3
  128.054 20.020 1
  130.063 310.310 30
  131.068 40.040 3
  132.079 870.871 86
  133.083 70.070 6
  140.047 10.010 0
  142.064 490.490 48
  143.071 660.661 65
  144.079 2532.532 252
  145.080 240.240 23
  146.058 10000.000 999
  147.062 840.841 83
  148.064 20.020 1
  159.090 1181.181 117
  160.081 200.200 19
  161.079 10.010 0
  170.058 1151.151 114
  171.061 120.120 11
  188.069 3453.453 344
  189.071 390.390 38
  190.074 10.010 0
//