MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007676
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007676
RECORD_TITLE: PARA-ETHYLTOLUENE; 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$NAME: PARA-ETHYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12
CH$EXACT_MASS: 120.09390
CH$SMILES: CCc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
CH$LINK: CAS
622-96-8
CH$LINK: INCHIKEY
JRLPEMVDPFPYPJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9029194
AC$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: splash10-0a4i-4900000000-c20a53d296cf4fb33628
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 3.26 33
39 6.05 61
41 2.19 22
50 1.33 13
51 3.32 33
53 1.33 13
63 3.06 31
65 5.25 53
77 13.29 133
78 4.39 44
79 16.28 163
80 1.06 11
89 1.79 18
91 11.3 113
92 1.99 20
102 1.06 11
103 8.84 88
104 2.66 27
105 99.99 999
106 8.64 86
115 2.33 23
117 2.26 23
119 1.66 17
120 23.46 235
121 2.26 23
//
system version 2.2.6-SNAPSHOT