MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011497
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011497
RECORD_TITLE: 4-METHYLSTYRENE 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$NAME: 4-METHYLSTYRENE OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O
CH$EXACT_MASS: 134.07316
CH$SMILES: Cc(c2)ccc(c2)C(C1)O1
CH$IUPAC: InChI=1S/C9H10O/c1-7-2-4-8(5-3-7)9-6-10-9/h2-5,9H,6H2,1H3
CH$LINK: INCHIKEY
QAWJAMQTRGCJMH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60927062
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$SPLASH: splash10-0fvi-9500000000-6a6554bf1cb06c3b2808
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
37 2.63 26
38 9.4 94
39 51.87 519
40 4.15 42
41 6.15 62
42 1.26 13
43 1.18 12
49 1.22 12
50 24.74 247
51 48.87 489
52 18.4 184
53 12.59 126
54 1.12 11
61 2.77 28
62 11.05 111
63 34.71 347
64 6.47 65
65 26.14 261
66 3.16 32
74 6.65 67
75 6.96 70
76 8.88 89
77 61.9 619
78 99.99 999
79 26.37 264
80 1.49 15
86 1.78 18
87 2.37 24
89 13.42 134
90 3.78 38
91 59.85 599
92 5.04 50
101 1.14 11
102 11.95 120
103 66.11 661
104 39.63 396
105 46.48 465
106 7.15 72
115 2.65 27
117 3.28 33
118 2.86 29
119 89.89 899
120 8.59 86
133 8.4 84
134 26.58 266
135 3.3 33
//