MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012253
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012253
RECORD_TITLE: 3-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$NAME: 3-METHYLSTYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10
CH$EXACT_MASS: 118.07825
CH$SMILES: C=Cc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
CH$LINK: CAS
100-80-1
CH$LINK: INCHIKEY
JZHGRUMIRATHIU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9051454
AC$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-0900000000-5b375791dc04d0797c7d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
105 9.01 90
117 2.65 27
118 5.26 53
119 99.99 999
120 9.9 99
147 12.75 128
148 1.59 16
159 3.99 40
//