MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012244
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012244
RECORD_TITLE: STYRENE; 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$NAME: STYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8
CH$EXACT_MASS: 104.06260
CH$SMILES: C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
CH$LINK: CAS
100-42-5
CH$LINK: INCHIKEY
PPBRXRYQALVLMV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021284
AC$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: splash10-0a4i-0900000000-582bcbfa5c258cd958c7
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
91 13.52 135
92 1.06 11
104 6.81 68
105 99.99 999
106 8.63 86
133 16.55 166
134 1.73 17
145 2.94 29
//