ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C00078
CH$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 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.
  40.700 9901.0 1
  43.300 14851.5 1
  53.100 39604.0 1
  55.100 39604.0 1
  55.800 19802.0 1
  62.400 29703.0 1
  66.000 49505.0 1
  66.300 44554.5 1
  69.300 14851.5 1
  74.000 1099011.0 31
  76.900 227723.0 6
  78.800 39604.0 1
  84.900 19802.0 1
  88.900 44554.5 1
  90.100 74257.5 2
  91.100 6500006.5 182
  93.000 69307.0 2
  97.000 14851.5 1
  102.800 376238.0 11
  104.200 44554.5 1
  104.900 361386.5 10
  106.400 54455.5 2
  115.100 6732680.0 188
  116.200 1099011.0 31
  117.100 8153473.5 228
  118.100 35747560.5 999
  120.800 14851.5 1
  127.200 1123763.5 31
  128.000 509901.5 14
  128.500 84158.5 2
  130.200 3618815.5 101
  130.900 207921.0 6
  131.900 3668320.5 103
  140.400 168317.0 5
  141.000 54455.5 2
  142.000 3217825.0 90
  143.200 7475255.0 209
  144.200 2227725.0 62
  146.000 4371291.5 122
  158.100 163366.5 5
  159.200 410891.5 11
  160.300 59406.0 2
  170.300 940595.0 26
//