ACCESSION: UF023704
RECORD_TITLE: Tribenzylamine; APCI-ITFT; MS2; CE: 55; R=60000; [M+H]+;  direct infusion
DATE: 2012.05.28
AUTHORS: Krauss M, Schulze T, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
LICENSE: http://massbank.normandata.eu/MassBank/license.html
COPYRIGHT: Copyright (C) 2012
COMMENT: CONFIDENCE standard compound
COMMENT: WANA Internal ID 237
CH$NAME: Tribenzylamine
CH$NAME: Benzenemethanamine, N,N-bis(phenylmethyl)-
CH$NAME: 1-phenyl-N,N-bis(phenylmethyl)methanamine
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C21H21N
CH$EXACT_MASS: 287.16740
CH$SMILES: C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1
CH$IUPAC: InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
CH$LINK: CAS 620-40-6
CH$LINK: PUBCHEM CID:24321
CH$LINK: INCHIKEY MXHTZQSKTCCMFG-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 22739
AC$INSTRUMENT: LTQ Orbitrap XL Thermo Scientific
AC$INSTRUMENT_TYPE: APCI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: IONIZATION APCI
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 55 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 1.9 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 288.17551
MS$FOCUSED_ION: PRECURSOR_M/Z 288.17468
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  91.0544 176231.8 239
  106.0653 7817.6 10
  120.081 69016.7 93
  153.0702 2965.6 4
  165.0701 4156.7 5
  166.078 24493.1 33
  179.0858 22801.5 31
  181.1014 734313.8 999
  193.1014 3185.6 4
  196.1122 514659.2 700
  210.1278 3163.5 4
  271.1481 23708.6 32
