MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012254
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012254
RECORD_TITLE: 4-METHYLSTYRENE; 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$NAME: 4-METHYLSTYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10
CH$EXACT_MASS: 118.07825
CH$SMILES: C=Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
CH$LINK: CAS
622-97-9
CH$LINK: INCHIKEY
JLBJTVDPSNHSKJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3020889
AC$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: splash10-014i-0900000000-56c3e63c2e157a2d2c7c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
105 22.63 226
106 1.97 20
117 7.19 72
118 10.3 103
119 99.99 999
120 16.36 164
121 1.37 14
147 20.6 206
148 2.4 24
159 5.7 57
//