MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002103
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002103
RECORD_TITLE: BENZENE; 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$NAME: BENZENE
CH$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$LINK: COMPTOX
DTXSID3039242
CH$LINK: INCHIKEY
UHOVQNZJYSORNB-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:241
AC$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: splash10-004i-9000000000-70967112fec69784847c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
26 1.14 11
27 1.49 15
37 2.13 21
38 3.41 34
39 10.94 109
49 1.56 16
50 11.51 115
51 14.77 148
52 18.82 188
63 2.13 21
73 1.49 15
74 4.26 43
75 1.63 16
76 4.62 46
77 21.16 212
78 99.99 999
79 6.46 65
//
system version 2.2.6-SNAPSHOT