MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001533
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001533
RECORD_TITLE: ORTHO-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$NAME: ORTHO-XYLENE
CH$NAME: 1,2-DIMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10
CH$EXACT_MASS: 106.07825
CH$SMILES: Cc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
CH$LINK: INCHIKEY
CTQNGGLPUBDAKN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3021807
AC$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-9300000000-7444c78cfa46f8a9a90e
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
26 1.29 13
27 9.61 96
37 1.2 12
38 2.77 28
39 18.12 181
40 2.19 22
41 3.09 31
50 7.09 71
51 16.7 167
52 7.41 74
53 5.03 50
61 1.42 14
62 3.16 32
63 7.67 77
64 1.81 18
65 9.8 98
66 1.29 13
74 2.26 23
75 1.74 17
76 1.55 16
77 14.83 148
78 8.83 88
79 7.22 72
89 2.83 28
90 99.99 999
92 8.32 83
102 1.35 14
103 5.8 58
104 2.77 28
105 21.92 219
106 55.77 558
107 5.09 51
//