MassBank Record: KO001869



 L-Tryptophan; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001869
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$LINK: PUBCHEM SID:3378
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 203 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-2900000000-5187dac98dbd6834d6ba PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 45.100 54455.5 7 59.100 163366.5 22 71.900 143564.5 19 74.000 2356438.0 315 116.200 7475255.0 999 130.100 193069.5 26 132.100 29703.0 4 142.100 1569308.5 210 143.200 782179.0 105 157.800 54455.5 7 159.100 64356.5 9 186.200 44554.5 6 203.000 59406.0 8 //