MassBank Record: MSBNK-AGILENT-AG000046
ACCESSION: MSBNK-AGILENT-AG000046
RECORD_TITLE: Thiabendazole; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Thiabendazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H7N3S
CH$EXACT_MASS: 201.03607
CH$SMILES: C1=NC(=CS1)C1NC2C=CC=CC=2N=1
CH$IUPAC: InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
CH$LINK: CAS
148-79-8
CH$LINK: CHEMSPIDER
5237
CH$LINK: INCHIKEY
WJCNZQLZVWNLKY-UHFFFAOYSA-N
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 202.0433444272
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-003r-3900000000-2a1086a15d4cdf0408ce
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
65.038577 45.271706 452
77.038577 3.909966 39
90.033826 1.390163 13
92.049476 25.278514 252
102.033826 1.067754 10
104.049476 13.255604 132
118.05255 2.634924 26
131.060375 100 999
134.005896 4.701325 46
142.05255 1.136929 11
143.060375 8.915806 89
157.063449 1.209066 12
158.071274 1.713555 17
170.071274 1.473321 14
175.032445 54.197819 541
202.043344 6.121307 61
//