MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003417
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003417
RECORD_TITLE: TOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: TOLUENE
CH$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$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-21366c9a473a72238c27
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
41 16.1 161
43 22.5 225
50 6 60
52 5.1 51
53 5.1 51
56 41.3 413
57 22.3 223
62 0.46 5
63 12 120
64 5.3 53
65 17 170
71 0.53 5
85 4.6 46
89 9.1 91
90 4.9 49
91 99.99 999
92 77.1 771
93 8.5 85
//