MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007787
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007787
RECORD_TITLE: 4-METHYLTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H5NS
CH$EXACT_MASS: 99.01427
CH$SMILES: Cc(n1)csc1
CH$IUPAC: InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
CH$LINK: CAS
693-95-8
CH$LINK: INCHIKEY
QMHIMXFNBOYPND-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5027300
AC$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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00dj-9000000000-6548e81d140752f9aa7b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
27 2.96 30
39 52.16 522
40 1.83 18
41 1.82 18
45 41.95 420
46 9.92 99
47 1.84 18
52 2.94 29
54 2.95 30
58 5.87 59
59 3.87 39
69 1.84 18
70 7.82 78
71 99.99 999
72 82.61 826
73 18.75 188
74 12.78 128
98 9.98 100
99 88.26 883
100 26.81 268
101 1.04 10
//