MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002347
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002347
RECORD_TITLE: BENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-004i-9000000000-92ccc664b07cb6c56de9
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
49 1.28 13
50 10.55 106
51 13.86 139
52 15.31 153
63 2.33 23
73 1.3 13
74 4.15 42
75 1.73 17
76 4.06 41
77 17.73 177
78 99.99 999
79 7.21 72
//