MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008793
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008793
RECORD_TITLE: BENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6
CH$EXACT_MASS: 78.04695
CH$SMILES: c(c1)cccc1
CH$IUPAC: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
CH$LINK: INCHIKEY
UHOVQNZJYSORNB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3039242
AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-0fb9-9000000000-2aae37aac9f2a02d5e8b
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
36 1.82 18
37 6.5 65
38 7.38 74
39 15.17 152
49 6.91 69
50 19.13 191
51 25.18 252
52 20.47 205
61 2.61 26
62 9.85 99
63 6.45 65
64 3.76 38
73 2.58 26
74 7.34 73
75 2.37 24
76 5.9 59
77 22.89 229
78 99.99 999
79 7.4 74
//