MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002888
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002888
RECORD_TITLE: DI-TERT-BUTYL PEROXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: DI-TERT-BUTYL PEROXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O2
CH$EXACT_MASS: 146.13068
CH$SMILES: CC(C)(C)OOC(C)(C)C
CH$IUPAC: InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
CH$LINK: INCHIKEY
LSXWFXONGKSEMY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2024955
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4l-9000000000-702109163ef5708acdde
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
14 5.13 51
15 36.89 369
26 2.48 25
27 7.59 76
29 15.15 152
31 2.98 30
39 4.59 46
41 22.64 226
42 6.11 61
43 82.33 823
45 2.9 29
55 2.02 20
56 3.41 34
57 99.99 999
58 22.55 226
59 5.06 51
73 7.57 76
146 4.34 43
//