MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008413
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008413
RECORD_TITLE: STYRENE OXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9100000000-ea96f470ccc073c67843
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
18 2.49 25
27 1.51 15
28 1.33 13
29 2.87 29
38 2.23 22
39 8.57 86
41 1.36 14
44 1.18 12
50 4.32 43
51 7.05 71
52 1.8 18
61 1.5 15
62 2.78 28
63 7.14 71
64 2.38 24
65 13.29 133
66 1.25 13
74 1.62 16
75 1.18 12
76 1.07 11
77 3.9 39
78 1.71 17
89 7.81 78
90 5.98 60
91 99.99 999
92 24.92 249
93 1.62 16
103 2.14 21
104 2.24 22
105 2.65 27
106 2.14 21
119 3.06 31
120 21.64 216
121 2.13 21
//