MassBank Record: MSBNK-Keio_Univ-KO001932

Tryptophanamide; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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ACCESSION: MSBNK-Keio_Univ-KO001932
RECORD_TITLE: Tryptophanamide; 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 T054

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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

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AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

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MS$FOCUSED_ION: PRECURSOR_M/Z 202
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

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PK$SPLASH: splash10-053r-5900000000-91ba44282610f59548c4
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  42.400 19802.0 108
  59.200 94059.5 513
  130.200 183168.5 999
//