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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011822

(3S,4S)-1-BENZYL-3-((1'S)-1'-HYDROXYETHYL)-4-((E)-STYRYL)-2-AZETIDINONE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011822
RECORD_TITLE: (3S,4S)-1-BENZYL-3-((1'S)-1'-HYDROXYETHYL)-4-((E)-STYRYL)-2-AZETIDINONE; 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$NAME: (3S,4S)-1-BENZYL-3-((1'S)-1'-HYDROXYETHYL)-4-((E)-STYRYL)-2-AZETIDINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H21NO2
CH$EXACT_MASS: 307.15723
CH$SMILES: c(c3)ccc(c3)CN(C(=O)1)C([H])(C([H])=C([H])c(c2)cccc2)C([H])(C([H])(C)O)1
CH$IUPAC: InChI=1S/C20H21NO2/c1-15(22)19-18(13-12-16-8-4-2-5-9-16)21(20(19)23)14-17-10-6-3-7-11-17/h2-13,15,18-19,22H,14H2,1H3/b13-12+/t15-,18-,19+/m0/s1
CH$LINK: INCHIKEY KXADUGXXWLWTIX-UWBFTQSISA-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$SPLASH: splash10-03k9-0292000000-57c6829ba3de8ed3f814
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  141 2.2 22
  143 3.8 38
  144 8.4 84
  145 9.1 91
  149 2.5 25
  156 2.1 21
  157 3.3 33
  158 1.3 13
  159 6.3 63
  172 15.5 155
  173 2.4 24
  174 18.9 189
  175 1.8 18
  185 1.3 13
  186 4.6 46
  188 5.2 52
  198 4.3 43
  216 2.6 26
  220 59.3 593
  221 43.1 431
  222 38.9 389
  223 6.3 63
  234 3.8 38
  238 1.8 18
  262 68.8 688
  263 99.99 999
  264 23.5 235
  265 1.9 19
  274 3.1 31
  279 3.2 32
  288 8.3 83
  289 12.8 128
  290 2.9 29
  307 73.6 736
  308 14.9 149
  309 1 10
//

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