MassBank Record: PR100267

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(S)-(+)-2-(anilinomethyl)pyrrolidine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

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

ACCESSION: PR100267
RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: (S)-(+)-2-(anilinomethyl)pyrrolidine
CH$NAME: (S)-(+)-N-(2-Pyrrolidinomethyl)aniline
CH$NAME: (2S)-Phenylpyrrolidin-2-ylmethylamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16N2
CH$EXACT_MASS: 176.1313499999999976353137753903865814208984375
CH$SMILES: c(c2)ccc(c2)NCC(C1)NCC1
CH$IUPAC: InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2
CH$LINK: CAS 64030-44-0
CH$LINK: CHEMSPIDER 5323331
CH$LINK: INCHIKEY MCHWKJRTMPIHRA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6950385

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 177.13914
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9100000000-44491c9f27b07bf1da92
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  84.0802 5004 999
  177.1391 626.9 125
//