MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011498
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011498
RECORD_TITLE: STYRENE OXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: STYRENE OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O
CH$EXACT_MASS: 120.05751
CH$SMILES: c(c2)ccc(c2)C(C1)O1
CH$IUPAC: InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
CH$LINK: INCHIKEY
AWMVMTVKBNGEAK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021286
AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0kdi-9600000000-ee02f9b2bd239f01f9b0
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
38 3.11 31
39 15.74 157
40 2.22 22
41 4.25 43
42 1.4 14
43 15.83 158
44 1.38 14
45 2.99 30
50 10.66 107
51 31.99 320
52 7.58 76
53 4.06 41
55 1.79 18
57 2.7 27
60 1.12 11
61 1.11 11
62 3.08 31
63 10.47 105
64 3.22 32
65 12.85 129
66 1.28 13
69 1.31 13
71 1.42 14
73 1.36 14
74 3.44 34
75 2.75 28
76 4.27 43
77 82.83 828
78 25.59 256
79 86.62 866
80 6.66 67
85 1.13 11
87 1.26 13
89 14.95 150
90 14.67 147
91 45.42 454
92 10.19 102
93 1.73 17
94 1.8 18
102 1.98 20
103 17.11 171
104 67.17 672
105 66.69 667
106 6.99 70
107 99.99 999
108 11.76 118
115 1.29 13
118 1.94 19
119 9.96 100
120 29.05 291
121 15.13 151
122 9.97 100
123 1.09 11
//