MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012255
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012255
RECORD_TITLE: PROPYLBENZENE; 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$NAME: PROPYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12
CH$EXACT_MASS: 120.09390
CH$SMILES: CCCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
CH$LINK: CAS
103-65-1
CH$LINK: INCHIKEY
ODLMAHJVESYWTB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3042219
AC$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-1900000000-b0853d26db8bca3070a1
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
79 22.18 222
80 1.46 15
91 7 70
105 9.91 99
107 18.31 183
108 1.49 15
119 18.97 190
120 12.68 127
121 99.99 999
122 9.81 98
149 22.3 223
150 2.59 26
161 12.56 126
162 1.57 16
//
system version 2.2.6-SNAPSHOT