MassBank Record: KO004075

Home Search Record Index Data Privacy Imprint

L-Tryptophan; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO004075
RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:40 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$LINK: COMPTOX DTXSID5021419
CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N
CH$LINK: KEGG C00078
CH$LINK: NIKKAJI J9.181B
CH$LINK: PUBCHEM SID:3378

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 40 V

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

PK$SPLASH: splash10-014i-0900000000-4dd8bf52e2f41311bcac
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  40.7 9901.0 1.0
  43.3 14851.5 1.0
  53.1 39604.0 1.0
  55.1 39604.0 1.0
  55.8 19802.0 1.0
  62.4 29703.0 1.0
  66.0 49505.0 1.0
  66.3 44554.5 1.0
  69.3 14851.5 1.0
  74.0 1099010.0 31.0
  76.9 227723.0 6.0
  78.8 39604.0 1.0
  84.9 19802.0 1.0
  88.9 44554.5 1.0
  90.1 74257.5 2.0
  91.1 6500010.0 182.0
  93.0 69307.0 2.0
  97.0 14851.5 1.0
  102.8 376238.0 11.0
  104.2 44554.5 1.0
  104.9 361386.0 10.0
  106.4 54455.5 2.0
  115.1 6732680.0 188.0
  116.2 1099010.0 31.0
  117.1 8153470.0 228.0
  118.1 3.57476E7 999.0
  120.8 14851.5 1.0
  127.2 1123760.0 31.0
  128.0 509902.0 14.0
  128.5 84158.5 2.0
  130.2 3618820.0 101.0
  130.9 207921.0 6.0
  131.9 3668320.0 103.0
  140.4 168317.0 5.0
  141.0 54455.5 2.0
  142.0 3217820.0 90.0
  143.2 7475260.0 209.0
  144.2 2227720.0 62.0
  146.0 4371290.0 122.0
  158.1 163366.0 5.0
  159.2 410892.0 11.0
  160.3 59406.0 2.0
  170.3 940595.0 26.0
//