MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001534
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001534
RECORD_TITLE: META-XYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: META-XYLENE
CH$NAME: 1,3-DIMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10
CH$EXACT_MASS: 106.07825
CH$SMILES: Cc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
CH$LINK: INCHIKEY
IVSZLXZYQVIEFR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6026298
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-052f-9400000000-df0f65246037f2bfb507
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
27 6.05 61
38 2.47 25
39 13.02 130
40 1.68 17
41 2.22 22
44 1.08 11
50 4.72 47
51 11.96 120
52 6.24 62
53 3.42 34
61 1 10
62 2.35 24
63 6.14 61
64 1.36 14
65 7.62 76
66 1.05 11
74 1.59 16
75 1.19 12
76 1.08 11
77 12.88 129
78 6.88 69
79 7.42 74
89 2.3 23
91 99.99 999
92 7.67 77
102 1.33 13
103 5.54 55
104 2.67 27
105 25.88 259
106 64.68 647
107 5.28 53
//