ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011806
RECORD_TITLE: METHYL 2-(N-((BORNANE-10,2-SULTAM)-12-CARBAMOYL)AMINO)-4-METHYL-4-PENTENOATE; 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$NAME: METHYL 2-(N-((BORNANE-10,2-SULTAM)-12-CARBAMOYL)AMINO)-4-METHYL-4-PENTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₈N₂O₅S
CH$EXACT_MASS: 384.17189
CH$SMILES: COC(=O)C(CC(C)=C)NC(=O)N(C1)S(=O)(=O)C(C3)(C(C)(C)2)C([H])(CC(C3)2)1
CH$IUPAC: InChI=1S/C18H28N2O5S/c1-11(2)8-14(15(21)25-5)19-16(22)20-10-13-9-12-6-7-18(13,17(12,3)4)26(20,23)24/h12-14H,1,6-10H2,2-5H3,(H,19,22)/t12-,13-,14?,18-/m0/s1
CH$LINK: INCHIKEY PNXBSELBSBWZLZ-YALINYFNSA-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$SPLASH: splash10-0059-0097000000-18e6478bbd96273eeaf7
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  190 2.8 28
  194 13.1 131
  195 1 10
  198 1.2 12
  200 1.6 16
  201 15.1 151
  202 1 10
  203 13.1 131
  213 3.3 33
  214 15.3 153
  215 5.5 55
  216 2.5 25
  226 3.6 36
  229 72.3 723
  231 97.5 975
  232 14.9 149
  236 1.6 16
  242 79.4 794
  243 11 110
  244 9.6 96
  248 1.4 14
  250 1.3 13
  259 6.6 66
  262 1.2 12
  267 3.9 39
  270 1 10
  282 1 10
  285 1 10
  286 14.7 147
  287 1.7 17
  296 20.4 204
  297 2 20
  298 20.1 201
  299 2.2 22
  300 6.7 67
  308 14.6 146
  309 1.4 14
  310 30.7 307
  311 24 240
  312 3.9 39
  313 1.6 16
  317 1.9 19
  324 1.2 12
  325 54.6 546
  326 10.4 104
  327 3.9 39
  329 99.99 999
  330 14.1 141
  331 6 60
  352 10 100
  353 7.8 78
  370 8.2 82
  371 1.3 13
  382 1 10
  384 30.7 307
  385 6 60
  386 2.2 22
//