ACCESSION: MSBNK-EPA-ENTACT_AGILENT000528
RECORD_TITLE: Auramine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Auramine
CH$NAME: DTXSID9020114
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₁N₃
CH$EXACT_MASS: 267.1735476921
CH$SMILES: CN(C)C1C=CC(=CC=1)C(=N)C1C=CC(=CC=1)N(C)C
CH$IUPAC: InChI=1S/C17H21N3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h5-12,18H,1-4H3
CH$LINK: CAS 492-80-8
CH$LINK: INCHIKEY JPIYZTWMUGTEHX-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$FOCUSED_ION: PRECURSOR_M/Z 268.1808241438
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-1920000000-ae300ac615101dfc93c7
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  42.033826 8.707606 86
  44.049476 1.491437 14
  77.038577 5.233667 52
  79.054227 5.467314 54
  91.054227 3.506775 35
  93.069877 1.430236 14
  103.054227 1.395716 13
  104.049476 3.527962 35
  105.057301 5.477086 54
  106.065126 4.297248 42
  107.072951 22.217479 221
  118.065126 1.442277 14
  120.080776 9.766994 97
  122.096426 14.539931 145
  131.060375 16.156354 161
  132.0682 9.364249 93
  145.076025 8.12482 81
  146.08385 2.678708 26
  147.091675 100 999
  224.1308 2.877378 28
  252.149524 41.218446 411
  268.180824 2.956213 29
//