ACCESSION: MSBNK-RIKEN_ReSpect-PT104680
RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, N-[[(2S)-pyrrolidin-2-yl]methyl]aniline, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: (S)-(+)-2-(anilinomethyl)pyrrolidine
CH$NAME: N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CH$NAME: (S)-(+)-N-(2-Pyrrolidinomethyl)aniline
CH$NAME: (2S)-Phenylpyrrolidin-2-ylmethylamine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Pyrrolidine
CH$FORMULA: C₁₁H₁₆N₂
CH$EXACT_MASS: 176.263
CH$SMILES: C1CC(NC1)CNC2=CC=CC=C2
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: INCHIKEY MCHWKJRTMPIHRA-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

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

PK$SPLASH: splash10-001i-9100000000-44491c9f27b07bf1da92
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
84.0802 5004.0 999
177.1391 626.9 125
//