ACCESSION: MSBNK-EPA-ENTACT_AGILENT002296
RECORD_TITLE: 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CH$NAME: DTXSID8044915
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁NO
CH$EXACT_MASS: 149.0840639806
CH$SMILES: CC1COC2C=CC=CC=2N1
CH$IUPAC: InChI=1S/C9H11NO/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3
CH$LINK: CAS 32329-20-7
CH$LINK: INCHIKEY BSDVKBWLRCKPFB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2763760

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$FOCUSED_ION: PRECURSOR_M/Z 150.0913404323
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a59-7900000000-3e6a0aea12c357976f91
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  39.022927 1.461086 14
  41.038577 3.038397 30
  42.033826 1.727797 17
  53.038577 1.883065 18
  56.049476 4.082457 40
  57.057301 12.763743 127
  61.007276 1.392342 13
  65.038577 22.258061 222
  79.054227 1.433752 14
  80.049476 79.517019 794
  81.069877 1.16665 11
  91.054227 1.775281 17
  92.049476 37.648642 376
  93.033491 4.294161 42
  93.057301 1.923282 19
  94.065126 3.4842 34
  95.049141 2.574219 25
  105.069877 5.830337 58
  107.049141 1.197401 11
  107.072951 1.102563 11
  108.04439 100 999
  108.080776 1.650878 16
  109.052215 8.56383 85
  110.06004 12.654911 126
  115.054227 1.293281 12
  117.057301 2.419194 24
  118.065126 2.151048 21
  120.04439 10.411835 104
  120.080776 5.375427 53
  122.096426 3.807878 38
  132.080776 3.414238 34
  133.064791 3.376517 33
  134.06004 1.354947 13
  135.067865 2.354021 23
  150.09134 44.313357 442
//