MassBank Record: JP011818

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N-((E)-(3S)-3-BENZYLAMINO-5-PHENYL-4-PENENOYL)BORNANE-10,2-SALTAM; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP011818
RECORD_TITLE: N-((E)-(3S)-3-BENZYLAMINO-5-PHENYL-4-PENENOYL)BORNANE-10,2-SALTAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHINORI Y, FAC. SCIENCE, TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-((E)-(3S)-3-BENZYLAMINO-5-PHENYL-4-PENENOYL)BORNANE-10,2-SALTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H34N2O3S
CH$EXACT_MASS: 478.2290100000000165891833603382110595703125
CH$SMILES: C(C(NCc(c5)cccc5)(CC(=O)N(S(=O)(=O)2)CC(C4)([H])C(C(C)(C)3)2CCC34)[H])=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C28H34N2O3S/c1-27(2)23-15-16-28(27)24(17-23)20-30(34(28,32)33)26(31)18-25(14-13-21-9-5-3-6-10-21)29-19-22-11-7-4-8-12-22/h3-14,23-25,29H,15-20H2,1-2H3/b14-13+/t23-,24-,25+,28-/m0/s1
CH$LINK: INCHIKEY MSFYJKCCZZKLNT-MNOIWORRSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-0009000000-f2ae3febcd9b860c361e
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  291 5.3 53
  294 1.9 19
  307 1.7 17
  323 3.6 36
  325 1.2 12
  371 37.8 378
  372 9.5 95
  373 5.2 52
  387 99.99 999
  388 26 260
  389 8.6 86
  390 1.2 12
  429 2.1 21
  476 3.9 39
  477 1.6 16
  478 5.3 53
  479 1.3 13
//