MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011822
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
//