MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011832
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011832
RECORD_TITLE: (4S)-1-BENZYL-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$NAME: (4S)-1-BENZYL-4-((E)-STYRYL)-2-AZETIDINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H17NO
CH$EXACT_MASS: 263.13101
CH$SMILES: c(c3)ccc(c3)CN(C(=O)2)C([H])(C2)C([H])=C([H])c(c1)cccc1
CH$IUPAC: InChI=1S/C18H17NO/c20-18-13-17(12-11-15-7-3-1-4-8-15)19(18)14-16-9-5-2-6-10-16/h1-12,17H,13-14H2/b12-11+/t17-/m1/s1
CH$LINK: INCHIKEY
HICWMSZAVNPYKA-FMQWLBJXSA-N
AC$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: splash10-0036-5920000000-a802ed900db5d8dff04d
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
17 2.7 27
18 13.2 132
27 1.6 16
28 2.2 22
39 4.9 49
41 1.6 16
42 1.6 16
43 2.2 22
50 1.6 16
51 6.6 66
52 2.2 22
63 2.7 27
64 1.6 16
65 11.5 115
75 1.1 11
76 1.6 16
77 8.8 88
78 4.4 44
79 1.1 11
89 3.3 33
90 2.2 22
91 99.99 999
92 23.6 236
102 2.7 27
103 3.8 38
104 4.9 49
105 5.5 55
106 4.9 49
115 33 330
116 6 60
117 6.6 66
118 1.1 11
127 6 60
128 16.5 165
129 66.5 665
130 97.3 973
131 13.7 137
132 5.5 55
133 2.7 27
143 1.6 16
144 9.9 99
145 7.7 77
146 1.6 16
156 2.2 22
157 1.1 11
158 1.6 16
172 9.3 93
173 1.1 11
180 2.7 27
220 11 110
221 4.9 49
222 1.1 11
234 1.1 11
235 3.3 33
262 3.3 33
263 46.2 462
264 9.3 93
265 1.1 11
//
system version 2.2.8-SNAPSHOT