ACCESSION: MSBNK-Keio_Univ-KO004074
RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00kb-0900000000-6438d3945cf8a0273496
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  55.200 29703.0 1
  61.700 24752.5 1
  70.900 34653.5 1
  74.000 1554457.0 41
  81.000 54455.5 1
  83.800 19802.0 1
  85.000 54455.5 1
  90.900 480198.5 13
  92.700 24752.5 1
  102.800 24752.5 1
  103.200 44554.5 1
  105.400 79208.0 2
  105.800 24752.5 1
  111.200 19802.0 1
  113.400 19802.0 1
  115.100 1247526.0 33
  116.400 168317.0 4
  117.000 3450498.5 91
  118.000 34227757.0 904
  127.000 574258.0 15
  128.200 168317.0 4
  130.300 2232675.5 59
  131.900 5599015.5 148
  140.200 24752.5 1
  142.000 3341587.5 88
  143.300 3658419.5 97
  144.100 8465355.0 224
  145.100 227723.0 6
  146.100 37806968.5 999
  149.000 29703.0 1
  157.900 29703.0 1
  159.100 2623765.0 69
  159.900 400990.5 11
  164.000 19802.0 1
  170.300 4074261.5 108
  188.400 2663369.0 70
//