MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008195
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008195
RECORD_TITLE: METHYL ISOTHIOCYANATE; 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$NAME: METHYL ISOTHIOCYANATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H3NS
CH$EXACT_MASS: 72.99862
CH$SMILES: CN=C=S
CH$IUPAC: InChI=1S/C2H3NS/c1-3-2-4/h1H3
CH$LINK: CAS
556-61-6
CH$LINK: INCHIKEY
LGDSHSYDSCRFAB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2027204
AC$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: splash10-00di-9000000000-b429ebb7bc29e9080486
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
12 1.21 12
14 1.85 19
15 9.17 92
26 1.03 10
27 2.75 28
28 10.67 107
29 1.08 11
32 10.41 104
35 4.47 45
38 3.65 37
39 4.47 45
40 4.82 48
41 1.57 16
44 13.34 133
45 23.28 233
46 5.33 53
47 1.8 18
57 6.72 67
58 1.18 12
70 7.99 80
71 4.47 45
72 43.44 434
73 99.99 999
74 5.47 55
75 4.63 46
//