ACCESSION: MSBNK-Keio_Univ-KO009290
RECORD_TITLE: Tryptophanamide; LC-ESI-IT; MS2; m/z: 204; [M+H]+
DATE: 2011.05.10 (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

CH$NAME: Tryptophanamide
CH$NAME: L-Tryptophanamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃N₃O
CH$EXACT_MASS: 203.10586
CH$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: KEGG C00977
CH$LINK: PUBCHEM SID:4226
CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60

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

PK$SPLASH: splash10-000i-0900000000-b0e1293c51171086311e
PK$ANNOTATION: m/z struct. num formula mass
  159.1 0 1 C10H11N2 159.09222
  187.1 0 1 C11H11N2O 187.08714
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  58.2 270.66 1
  117.0 23.44 1
  118.2 22.72 1
  126.1 46.40 1
  130.1 601.29 1
  132.1 9373.19 10
  133.0 398.36 1
  134.0 84.26 1
  142.2 443.16 1
  144.1 19695.93 20
  145.1 16343.42 17
  147.6 474.09 1
  159.1 124902.36 128
  169.2 179.62 1
  170.1 2635.77 3
  174.1 53.27 1
  184.9 309.13 1
  186.2 1079.10 1
  187.1 976283.05 999
  187.8 660.61 1
  188.6 91.93 1
  203.1 84.89 1
  204.1 1355.47 1
  205.0 20.70 1
  229.1 59.70 1
//