MassBank Record: KO009293

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Tryptophanamide; LC-ESI-IT; MS4; m/z: 204/187/145; [M+H]+

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

ACCESSION: KO009293
RECORD_TITLE: Tryptophanamide; LC-ESI-IT; MS4; m/z: 204/187/145; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T054
COMMENT: [MS3] KO009291

CH$NAME: Tryptophanamide
CH$NAME: L-Tryptophanamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13N3O
CH$EXACT_MASS: 203.1058600000000069485395215451717376708984375
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)N
CH$IUPAC: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1
CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N
CH$LINK: KEGG C00977
CH$LINK: PUBCHEM SID:4226

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS4
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.55/0.40

MS$FOCUSED_ION: PRECURSOR_M/Z 204/187/145
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0002-0900000000-b75a0d1dbd60b1620041
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  118.1 30.40 160
  145.1 190.38 999
  145.9 34.85 183
//