ACCESSION: MSBNK-Keio_Univ-KO009291
RECORD_TITLE: Tryptophanamide; LC-ESI-IT; MS3; m/z: 204/187; [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: [MS2] KO009290

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$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.55

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

PK$SPLASH: splash10-0007-0900000000-9723c6894b801c093580
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  55.1 62.84 1
  70.2 8.96 1
  115.1 13.58 1
  117.1 181.26 3
  118.1 328.81 5
  127.1 7.92 1
  132.0 136.30 2
  133.1 294.10 5
  134.1 731.96 12
  142.1 423.90 7
  143.0 201.18 3
  144.1 63121.20 999
  145.1 55517.96 879
  146.0 362.68 6
  148.9 32.13 1
  154.4 34.34 1
  159.1 1436.16 23
  160.1 98.05 2
  166.6 33.29 1
  169.1 380.94 6
  170.1 9274.11 147
  187.1 1790.06 28
  188.1 27.71 1
  222.2 6.71 1
//