ACCESSION: MSBNK-Keio_Univ-KO004073
RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-000j-0900000000-585a12a5632c26e1132f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  61.800 34653.5 1
  71.000 84158.5 1
  74.200 420792.5 6
  80.700 34653.5 1
  85.000 29703.0 1
  87.000 19802.0 1
  105.300 99010.0 1
  115.000 59406.0 1
  116.800 202970.5 3
  118.100 2460398.5 34
  121.300 94059.5 1
  127.000 64356.5 1
  128.900 24752.5 1
  129.900 465347.0 6
  131.900 2113863.5 29
  133.500 34653.5 1
  134.900 19802.0 1
  142.000 519802.5 7
  142.900 301980.5 4
  144.100 5846540.5 81
  146.100 40722813.0 563
  148.900 34653.5 1
  159.100 4861391.0 67
  160.200 465347.0 6
  163.900 19802.0 1
  170.100 2316834.0 32
  176.000 44554.5 1
  188.200 72232745.5 999
  205.200 806931.5 11
//