MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007802
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007802
RECORD_TITLE: 4-METHYL-5-THIAZOLEETHANOL; 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$NAME: 4-METHYL-5-THIAZOLEETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H9NOS
CH$EXACT_MASS: 143.04048
CH$SMILES: OCCc(s1)c(C)nc1
CH$IUPAC: InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
CH$LINK: CAS
137-00-8
CH$LINK: INCHIKEY
BKAWJIRCKVUVED-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3044382
AC$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: splash10-03di-3900000000-373fe84bca11e1b9a8e8
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
31 3.9 39
45 17.11 171
53 3.12 31
55 2.03 20
68 3.09 31
71 3.16 32
72 5.14 51
80 1.02 10
85 32.16 322
86 7.24 72
87 2.11 21
98 2.19 22
99 1.08 11
100 4 40
112 99.99 999
113 72.24 722
114 10.73 107
115 3.12 31
125 1.05 11
143 44.43 444
144 5.08 51
145 2.26 23
//