ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011823
RECORD_TITLE: N-((E)-(3R)-3-BENZYLAMINO-5-PHENYL-4-PENTENOYL)BORNANE-10,2-SULTAM; 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$NAME: N-((E)-(3R)-3-BENZYLAMINO-5-PHENYL-4-PENTENOYL)BORNANE-10,2-SULTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₈H₃₄N₂O₃S
CH$EXACT_MASS: 478.22901
CH$SMILES: C(C251)(C(CC2N(S(=O)(=O)C5)C(=O)CC(C=Cc(c4)cccc4)NCc(c3)cccc3)CC1)(C)C
CH$IUPAC: InChI=1S/C28H34N2O3S/c1-27(2)23-15-16-28(27)20-34(32,33)30(25(28)17-23)26(31)18-24(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 IFEBDMHPODSUQT-LAJVXCNNSA-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$SPLASH: splash10-00dr-0009000000-8814add94bdafb216e5e
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  291 4 40
  307 3.1 31
  309 1.3 13
  323 3 30
  325 1.9 19
  371 99.99 999
  372 25.8 258
  373 6.9 69
  374 2.1 21
  387 56.9 569
  388 15.9 159
  389 4.7 47
  476 1.6 16
  478 3.2 32
//