MassBank Record: KO004076

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L-Tryptophan; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO004076
RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:50 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$EXACT_MASS: 204.08987999999999374267645180225372314453125
CH$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 50 V

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

PK$SPLASH: splash10-014l-3900000000-6f82948a09684218ff98
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  52.800 19802.0 2
  65.100 108911.0 10
  66.000 29703.0 3
  73.800 371287.5 35
  76.600 54455.5 5
  77.000 752476.0 72
  78.900 113861.5 11
  88.900 282178.5 27
  90.000 485149.0 46
  91.100 10480208.5 999
  95.100 54455.5 5
  100.900 113861.5 11
  102.100 128713.0 12
  103.200 514852.0 49
  104.200 64356.5 6
  105.300 267327.0 25
  105.900 64356.5 6
  114.000 34653.5 3
  115.300 5608916.5 535
  116.200 930694.0 89
  117.100 7054462.5 672
  118.000 7866344.5 750
  118.900 14851.5 1
  126.700 74257.5 7
  127.100 306931.0 29
  127.900 301980.5 29
  130.100 1871289.0 178
  131.000 103960.5 10
  131.900 514852.0 49
  140.400 143564.5 14
  141.600 252475.5 24
  142.100 1490100.5 142
  143.100 2242576.5 214
  144.200 138614.0 13
  145.300 59406.0 6
  157.100 24752.5 2
  170.300 49505.0 5
//