MassBank Record: PR010221



 (S)-(+)-2-(anilinomethyl)pyrrolidine; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010221
RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (2006.12.21, 2011.05.06)
AUTHORS: Kusano MPlant Science Center, RIKEN., Fukushima APlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: (S)-(+)-2-(anilinomethyl)pyrrolidine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C11H16N2 CH$EXACT_MASS: 176.13135 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: NIKKAJI J1.104.490E CH$LINK: INCHIKEY MCHWKJRTMPIHRA-UHFFFAOYSA-N
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_INDEX 1819.6 AC$CHROMATOGRAPHY: RETENTION_TIME 478.096 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C17H32N2Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 320.2104 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-006x-9700000000-8162c9e6fb15343b54f7 PK$NUM_PEAK: 112 PK$PEAK: m/z int. rel.int. 60 9 9 61 3 3 62 1 1 63 12 12 64 6 6 65 22 22 66 6 6 67 4 4 68 4 4 69 6 6 70 63 63 71 8 8 72 78 78 73 999 999 74 95 95 75 30 30 76 7 7 77 217 217 78 25 25 79 45 45 80 3 3 81 1 1 82 10 10 83 7 7 84 13 13 85 13 13 86 11 11 88 2 2 89 2 2 90 3 3 91 11 11 92 4 4 93 6 6 94 2 2 96 1 1 97 2 2 98 8 8 99 10 10 100 20 20 101 4 4 102 2 2 103 1 1 104 27 27 105 17 17 106 159 159 107 25 25 108 2 2 110 1 1 111 1 1 112 3 3 113 5 5 114 2 2 115 4 4 116 1 1 117 5 5 118 5 5 119 1 1 120 3 3 121 2 2 124 1 1 126 2 2 127 4 4 128 5 5 129 1 1 130 3 3 132 5 5 133 1 1 134 5 5 135 1 1 136 1 1 139 1 1 140 12 12 141 8 8 142 950 950 143 125 125 144 40 40 145 5 5 146 1 1 150 15 15 151 3 3 152 1 1 154 3 3 155 1 1 158 2 2 160 2 2 162 2 2 171 1 1 175 1 1 203 2 2 213 1 1 225 1 1 226 1 1 231 1 1 233 7 7 234 1 1 248 3 3 263 1 1 346 1 1 373 1 1 394 1 1 434 1 1 464 1 1 481 1 1 528 1 1 567 1 1 582 1 1 583 1 1 653 1 1 677 1 1 679 1 1 730 1 1 739 1 1 //