MassBank Record: MSBNK-Keio_Univ-KO009290
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
//