MassBank Record: TT000131



 Cyclo-(D-Leu-L-Trp); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TT000131
RECORD_TITLE: Cyclo-(D-Leu-L-Trp); EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: Kimura YFaculty of Agriculture, Tottori University, Kuramata MFaculty of Agriculture, Tottori University, Faculty of Agriculture, Tottori University
LICENSE: CC BY-SA
PUBLICATION: Kimura, Y., Sawada, A., Kuramata, M., Kusano, M., Fujioka, S., Kawano, T., and Shimada, A. 2005. Brevicompanine C, Cyclo-(D-Ile-L-Trp), and Cyclo-(D-Leu-L-Trp), Plant Growth Regulators from Penicillium brevi-compactum. J. Nat. Prod., 68 (2):237 -239. doi:10.1021/np040178p
COMMENT: [Analytical] Sample was directly injected

CH$NAME: Cyclo-(D-Leu-L-Trp) CH$COMPOUND_CLASS: Natural Product; Oligopeptide CH$FORMULA: C17H21N3O2 CH$EXACT_MASS: 299.16338 CH$SMILES: CC(C)C[C@@H]1C(=O)N[C@H](C(=O)N1)CC2=CNC3=CC=CC=C32 CH$IUPAC: InChI=1S/C17H21N3O2/c1-10(2)7-14-16(21)20-15(17(22)19-14)8-11-9-18-13-6-4-3-5-12(11)13/h3-6,9-10,14-15,18H,7-8H2,1-2H3,(H,19,22)(H,20,21)/t14-,15+/m1/s1 CH$LINK: CHEMSPIDER 20100302 CH$LINK: NIKKAJI J2.159.088F CH$LINK: INCHIKEY BZUNCDPEEKFTCX-CABCVRRESA-N
AC$INSTRUMENT: Hitachi M80 mass spectrometers AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_POTENTIAL 70 eV
MS$FOCUSED_ION: BASE_PEAK 130.0276
PK$SPLASH: splash10-001i-1900000000-6861514b08a26990d02f PK$NUM_PEAK: 120 PK$PEAK: m/z int. rel.int. 40.99 10 10 41.97 3 3 42.96 12 12 43.99 17 17 44.93 2 2 49.95 1 1 50.89 2 2 51.93 1 1 52.87 2 2 54.01 1 1 55.05 7 7 55.99 3 3 57.08 10 10 57.92 2 2 59.06 1 1 59.90 3 3 60.94 1 1 61.98 1 1 62.92 2 2 64.95 1 1 67.03 2 2 67.97 4 4 69.06 7 7 70.05 4 4 71.04 5 5 72.04 1 1 72.99 4 4 73.98 1 1 74.98 6 6 76.02 3 3 77.06 22 22 78.11 3 3 79.05 1 1 80.10 1 1 81.09 3 3 82.08 2 2 83.07 4 4 84.11 2 2 85.05 4 4 86.04 4 4 87.08 1 1 89.06 2 2 90.10 1 1 91.04 2 2 93.08 1 1 95.02 3 3 96.07 1 1 97.06 4 4 98.01 2 2 99.15 2 2 101.10 3 3 102.05 10 10 103.10 26 26 104.05 3 3 105.05 1 1 109.10 1 1 110.15 1 1 111.14 3 3 112.08 1 1 113.07 6 6 114.01 7 7 115.00 10 10 115.99 2 2 116.98 8 8 118.02 1 1 119.01 1 1 120.95 1 1 123.10 1 1 124.05 1 1 125.00 2 2 125.90 2 2 126.90 2 2 127.95 9 9 129.00 32 32 130.03 999 999 131.01 108 108 131.91 7 7 133.02 1 1 135.03 1 1 137.04 1 1 138.04 1 1 140.00 2 2 141.05 3 3 142.00 3 3 142.95 8 8 144.05 2 2 145.05 1 1 147.05 2 2 148.90 5 5 149.95 1 1 154.04 1 1 155.05 3 3 156.06 3 3 157.07 7 7 158.03 7 7 159.09 3 3 166.98 3 3 168.04 1 1 169.05 4 4 170.05 13 13 171.06 3 3 184.01 1 1 185.00 3 3 186.09 1 1 213.97 1 1 221.00 1 1 228.15 1 1 242.09 2 2 243.13 1 1 252.25 1 1 256.13 2 2 279.05 1 1 284.06 2 2 285.05 1 1 297.03 2 2 298.02 3 3 299.09 93 93 300.15 17 17 301.05 2 2 308.85 1 1 //