MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012258
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012258
RECORD_TITLE: 3-ETHYLTOLUENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-ETHYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12
CH$EXACT_MASS: 120.09390
CH$SMILES: CCc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
CH$LINK: CAS
620-14-4
CH$LINK: INCHIKEY
ZLCSFXXPPANWQY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6050386
AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-00di-0900000000-ee2ccae05f2a7159c701
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
93 3.83 38
105 4.2 42
119 13.24 132
120 7.04 70
121 99.99 999
122 9.7 97
149 18.91 189
150 2.29 23
161 6.2 62
//