MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006808
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006808
RECORD_TITLE: TOLUENE; 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$NAME: TOLUENE
CH$NAME: METHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8
CH$EXACT_MASS: 92.06260
CH$SMILES: Cc(c1)cccc1
CH$IUPAC: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
CH$LINK: INCHIKEY
YXFVVABEGXRONW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021360
AC$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: splash10-0006-9000000000-9484aa3a95c9d0168f91
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
38 1.33 13
39 8.37 84
40 1 10
41 1.2 12
45 2.33 23
45.5 1 10
46 1.33 13
50 2.33 23
51 4.98 50
52 1.46 15
62 1.66 17
63 5.32 53
64 1.2 12
65 11.69 117
66 1.2 12
89 3.32 33
90 2.33 23
91 99.99 999
92 87.04 870
93 6.98 70
//