MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000209
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000209
RECORD_TITLE: PARA XYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PARA XYLENE
CH$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$LINK: INCHIKEY
URLKBWYHVLBVBO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021868
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-052f-9400000000-4b2097f841009fc7a1f9
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 3.93 39
38 1 10
39 7.33 73
41 1.31 13
50 3.14 31
51 9.75 98
52 3.93 39
53 2.29 23
62 1.24 12
63 3.53 35
65 5.82 58
77 11.91 119
78 5.04 50
79 8.84 88
89 1.51 15
91 99.99 999
92 7.4 74
102 1.11 11
103 6.54 65
104 2.16 22
105 25.07 251
106 50.39 504
107 4.25 43
//
system version 2.2.6-SNAPSHOT