MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010052
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010052
RECORD_TITLE: 1,1,2-TRIS(PHENYLTHIO)ETANE; 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$NAME: 1,1,2-TRIS(PHENYLTHIO)ETANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H18S3
CH$EXACT_MASS: 354.05706
CH$SMILES: c(c3)ccc(c3)SCC(Sc(c2)cccc2)Sc(c1)cccc1
CH$IUPAC: InChI=1S/C20H18S3/c1-4-10-17(11-5-1)21-16-20(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1-15,20H,16H2
CH$LINK: INCHIKEY
PQXFZZRYLUCAQH-UHFFFAOYSA-N
AC$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: splash10-00dj-3940000000-f65bda3cb4beca56ceb1
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
45 16.82 168
55 5.97 60
91 12.99 130
98 11.17 112
122 7.6 76
123 99.99 999
135 14.78 148
245 56.32 563
354 10.92 109
//
system version 2.2.8-SNAPSHOT