ACCESSION: MSBNK-EPA-ENTACT_AGILENT000248
RECORD_TITLE: 2-Amino-6-methoxybenzothiazole; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-029i-4900000000-3af58d1a7ae0ecf6a4ea
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  52.030752 9.150477 91
  59.990246 3.250315 32
  65.038577 1.750362 17
  67.041651 28.970644 289
  68.979347 1.891841 18
  69.987172 6.18434 61
  77.038577 1.250788 12
  78.033826 2.628801 26
  79.041651 8.97512 89
  80.049476 1.833164 18
  84.002822 3.256032 32
  93.987172 1.054864 10
  94.994997 3.815724 38
  95.049141 4.668331 46
  96.002822 38.333051 382
  105.044725 5.433205 54
  110.005896 21.623009 216
  110.06004 1.805907 18
  111.013721 71.93022 718
  111.055289 1.670618 16
  120.998071 5.131289 51
  122.005896 1.801863 18
  123.013721 1.923021 19
  123.997737 1.946304 19
  133.039639 2.716364 27
  137.016795 5.186002 51
  138.000811 1.005404 10
  138.02462 99.999999 999
  139.008636 1.184197 11
  150.02462 3.092316 30
  165.01171 1.196704 11
  166.019535 23.554504 235
//