ACCESSION: MSBNK-EPA-ENTACT_AGILENT000247
RECORD_TITLE: 2-Amino-6-methoxybenzothiazole; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Amino-6-methoxybenzothiazole
CH$NAME: DTXSID9024485
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈N₂OS
CH$EXACT_MASS: 180.0357336223
CH$SMILES: COC1=CC2SC(N)=NC=2C=C1
CH$IUPAC: InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)
CH$LINK: CAS 1747-60-0
CH$LINK: INCHIKEY KZHGPDSVHSDCMX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:15630

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 181.043010074
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0159-0900000000-d7ae9270370af67ff004
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  96.002822 1.194364 11
  111.013721 2.093149 20
  122.06004 1.165677 11
  138.02462 19.710423 196
  139.021212 2.950767 29
  150.02462 4.633692 46
  154.032111 1.785227 17
  166.019535 100.000002 999
  181.04301 92.342826 922
//