MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009363
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009363
RECORD_TITLE: 5-PHENYL-3-STYRYL-2-ISOXAZOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 5-PHENYL-3-STYRYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H15NO
CH$EXACT_MASS: 249.11536
CH$SMILES: c(c3)ccc(c3)C=CC(=N2)CC(O2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H15NO/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15/h1-12,17H,13H2/b12-11+
CH$LINK: INCHIKEY
OFNNLHMXDFWUTR-VAWYXSNFSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ufr-9500000000-5d9b3cc0e1300a6dc1c9
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
38 31.63 316
50 24.3 243
51 62.44 624
52 16.26 163
62 7.93 79
63 24.57 246
64 8.13 81
65 24.86 249
74 7.46 75
75 12.43 124
76 18.95 190
77 99.99 999
78 44.92 449
87 5.08 51
89 29.65 297
90 5.69 57
91 55.31 553
92 4.78 48
101 5.61 56
102 25.33 253
103 41.54 415
104 42.88 429
105 22.91 229
115 80.66 807
116 12.16 122
127 7.56 76
128 19.96 200
129 4.83 48
130 23.22 232
139 4.47 45
141 6.38 64
142 4.64 46
143 19.54 195
248 17.8 178
249 10.37 104
//