MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010207
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010207
RECORD_TITLE: 5-PHENETHYL-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$NAME: 5-PHENETHYL-3-STYRYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H19NO
CH$EXACT_MASS: 277.14666
CH$SMILES: c(c3)ccc(c3)CCC(O1)CC(C=Cc(c2)cccc2)=N1
CH$IUPAC: InChI=1S/C19H19NO/c1-3-7-16(8-4-1)11-13-18-15-19(21-20-18)14-12-17-9-5-2-6-10-17/h1-11,13,19H,12,14-15H2/b13-11+
CH$LINK: INCHIKEY
SNDAIAGNNKHSOS-ACCUITESSA-N
AC$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: splash10-004l-8970000000-9f1a3114c3df64f133e1
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
39 7.09 71
41 9.96 100
50 4.25 43
51 12.12 121
63 7.23 72
65 17.68 177
76 5.08 51
77 44.43 444
78 12.09 121
79 7.72 77
89 5.64 56
91 71.52 715
92 8.7 87
102 9.94 99
103 39.15 392
104 14.43 144
105 16.22 162
106 4.08 41
115 23.3 233
116 5.92 59
117 6.61 66
127 3.86 39
128 12.12 121
129 10.24 102
130 8.55 86
142 4.88 49
143 25.68 257
144 16.58 166
172 12.17 122
276 99.99 999
277 65.49 655
278 10.57 106
//