ACCESSION: MSBNK-Keio_Univ-KO001868
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 203
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0uxu-2940000000-cb35b9680612e19d8b3a
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  44.700 69307.0 7
  54.900 19802.0 2
  59.000 173267.5 17
  59.400 19802.0 2
  71.800 252475.5 25
  73.900 4311885.5 432
  83.300 64356.5 6
  84.100 64356.5 6
  87.100 84158.5 8
  115.300 84158.5 8
  116.000 9529712.5 954
  127.900 84158.5 8
  129.000 306931.0 31
  130.000 356436.0 36
  132.000 79208.0 8
  141.900 2698022.5 270
  143.400 3247528.0 325
  144.300 24752.5 2
  157.000 193069.5 19
  157.500 39604.0 4
  159.200 2386141.0 239
  172.900 54455.5 5
  185.300 89109.0 9
  186.200 514852.0 52
  203.300 9980208.0 999
//