MassBank Record: MSBNK-EPA-ENTACT_AGILENT000526

Auramine; ESI-QTOF; MS2; CE: 20; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000526
RECORD_TITLE: Auramine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 268.1808241438
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-014i-0290000000-44038487e1ef73ca8aca
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  107.072951 1.88933 18
  122.096426 6.407969 64
  147.091675 17.258306 172
  252.149524 2.339138 23
  268.180824 100.000001 999
//