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MassBank Record: MSBNK-EPA-ENTACT_AGILENT000358

N-(9-Fluorenylmethoxycarbonyl)-L-leucine; ESI-QTOF; MS2; CE: 40; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000358
RECORD_TITLE: N-(9-Fluorenylmethoxycarbonyl)-L-leucine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(9-Fluorenylmethoxycarbonyl)-L-leucine
CH$NAME: DTXSID0040751
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H23NO4
CH$EXACT_MASS: 353.1627082303
CH$SMILES: CC(C)CC(NC(=O)OCC1C2C=CC=CC=2C2C=CC=CC=21)C(O)=O
CH$IUPAC: InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)
CH$LINK: CAS 35661-60-0
CH$LINK: INCHIKEY CBPJQFCAFFNICX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:1549133

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$FOCUSED_ION: PRECURSOR_M/Z 354.169984682
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-2900000000-574f28b353e1116b9b4d
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  43.054227 3.615743 36
  44.049476 7.193384 71
  74.023655 11.93101 119
  86.096426 23.602225 235
  119.085527 1.06001 10
  177.069877 2.574783 25
  178.077702 96.053033 959
  179.085527 100.000001 999
  179.130466 1.296748 12
//

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