ACCESSION: MSBNK-Keio_Univ-KO004072
RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T003

CH$NAME: Trp
CH$NAME: Tryptophan
CH$NAME: L-Tryptophan
CH$NAME: (S)-alpha-Amino-beta-(3-indolyl)-propionic acid
CH$COMPOUND_CLASS: N/A
CH$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: CAS 73-22-3
CH$LINK: CHEBI 16828
CH$LINK: CHEMPDB TRP
CH$LINK: KEGG C00078
CH$LINK: NIKKAJI J9.181B
CH$LINK: PUBCHEM CID:6305
CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID5021419

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 205
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4r-0690000000-ea2d79df0b56be85abdd
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  71.100 24752.5 1
  76.800 9901.0 1
  82.400 19802.0 1
  84.700 14851.5 1
  86.800 39604.0 1
  102.700 19802.0 1
  118.200 277228.0 2
  126.300 14851.5 1
  127.100 64356.5 1
  128.500 34653.5 1
  129.800 34653.5 1
  131.900 341584.5 2
  133.000 49505.0 1
  141.300 19802.0 1
  144.100 143564.5 1
  145.300 84158.5 1
  146.100 1603962.0 11
  146.600 49505.0 1
  148.800 44554.5 1
  155.000 24752.5 1
  159.200 851486.0 6
  169.900 123762.5 1
  173.300 34653.5 1
  187.200 163366.5 1
  188.200 103658519.5 686
  205.100 151054606.5 999
  223.400 69307.0 1
  410.000 9901.0 1
//