MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001535
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001535
RECORD_TITLE: PARA-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$NAME: PARA-XYLENE
CH$NAME: 1.4-DIMETHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10
CH$EXACT_MASS: 106.07825
CH$SMILES: Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
CH$LINK: COMPTOX
DTXSID2021868
CH$LINK: INCHIKEY
URLKBWYHVLBVBO-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7809
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$SPLASH: splash10-052f-9400000000-58e5d57804187b27c6c5
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 7.08 71
38 2.03 20
39 12.44 124
40 1.42 14
41 2.14 21
44 1.24 12
50 5.85 59
51 14.05 141
52 5.95 60
53 4.2 42
62 2.23 22
63 5.9 59
64 1.24 12
65 7.61 76
66 1.12 11
74 1.64 16
75 1.17 12
76 1.11 11
77 14.49 145
78 7.01 70
79 8.12 81
89 2.16 22
91 99.99 999
92 8.07 81
102 1.38 14
103 6.29 63
104 3.16 32
105 29.6 296
106 69.74 697
107 6.11 61
//