ACCESSION: MSBNK-EPA-ENTACT_AGILENT002297
RECORD_TITLE: 3-Methyl-3,4-dihydro-2H-1,4-benzoxazine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00lr-9000000000-254ed49dd8cf22450ba4
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  39.022927 17.658671 176
  41.038577 1.34361 13
  51.022927 2.446022 24
  53.038577 26.733429 267
  55.017841 1.354187 13
  56.049476 1.756102 17
  57.057301 2.674276 26
  65.038577 57.769946 577
  66.033826 1.583643 15
  66.046402 1.857685 18
  77.038577 5.04084 50
  80.049476 100.000003 999
  89.038577 1.5163 15
  92.049476 5.354781 53
  93.033491 2.053059 20
  106.065126 1.419227 14
  108.04439 1.219817 12
  109.052215 1.616966 16
  117.057301 1.535631 15
  120.04439 6.109057 61
//