MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010939
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010939
RECORD_TITLE: 4-TERT-BUTYLSTYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-TERT-BUTYLSTYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16
CH$EXACT_MASS: 160.12520
CH$SMILES: C=Cc(c1)ccc(c1)C(C)(C)C
CH$IUPAC: InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3
CH$LINK: INCHIKEY
QEDJMOONZLUIMC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0022305
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-1900000000-9dfb58f4828557e5d0ae
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
41 8.4 84
77 5.9 59
91 11.1 111
105 12.4 124
115 6.5 65
117 22.9 229
128 7.2 72
129 3.9 39
130 4.1 41
145 99.99 999
146 12.7 127
160 32.5 325
161 5.5 55
//