MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009136
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009136
RECORD_TITLE: DIALLYL DISULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DIALLYL DISULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10S2
CH$EXACT_MASS: 146.02239
CH$SMILES: C=CCSSCC=C
CH$IUPAC: InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
CH$LINK: INCHIKEY
PFRGXCVKLLPLIP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9035206
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-4339fab2bebf0f0edead
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 1.86 19
26 1.05 11
27 4.88 49
37 1.44 14
38 4.04 40
39 42.81 428
40 3.14 31
41 99.99 999
42 2.88 29
45 20.31 203
46 3.59 36
47 5.27 53
53 1.09 11
58 1.1 11
61 1.07 11
64 4.03 40
69 1.33 13
71 4.43 44
72 3.18 32
73 5.82 58
74 1.21 12
79 2.06 21
81 12.49 125
85 2.74 27
103 3.07 31
104 1.32 13
105 5.93 59
113 2.54 25
146 9.53 95
//
system version 2.2.6-SNAPSHOT