MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008177
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008177
RECORD_TITLE: DIMETHYL SULFOXIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: DIMETHYL SULFOXIDE
CH$NAME: METHYL SULFOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H6OS
CH$EXACT_MASS: 78.01394
CH$SMILES: CS(C)=O
CH$IUPAC: InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
CH$LINK: CAS
67-68-5
CH$LINK: INCHIKEY
IAZDPXIOMUYVGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021735
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-03fs-9000000000-945240052686ea267e2b
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
13 2.48 25
14 8.78 88
15 33.76 338
26 1.03 10
27 5.46 55
28 2.28 23
29 9.28 93
31 6.44 64
32 3.62 36
33 4.21 42
34 4.54 45
35 5.84 58
44 3.53 35
45 47.22 472
46 13.65 137
47 11.14 111
48 10.06 101
49 1.56 16
58 1.3 13
59 1.01 10
61 17.03 170
62 6.78 68
63 99.99 999
64 2.65 27
65 4.51 45
78 79.06 791
79 10.77 108
80 4.3 43
//
system version 2.2.6-SNAPSHOT