MassBank Record: PR010220



 (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: PR010220
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 1798.1 AC$CHROMATOGRAPHY: RETENTION_TIME 473.542 sec
MS$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$SPLASH: splash10-006x-9800000000-3ed8ad13964f06fa5fff PK$NUM_PEAK: 101 PK$PEAK: m/z int. rel.int. 60 8 8 61 4 4 62 1 1 63 3 3 64 2 2 65 4 4 66 2 2 67 5 5 68 1 1 69 4 4 70 38 38 71 11 11 72 49 49 73 999 999 74 90 90 75 30 30 76 3 3 77 42 42 78 6 6 79 7 7 80 2 2 81 1 1 82 3 3 83 5 5 84 16 16 85 10 10 86 10 10 87 1 1 88 1 1 91 5 5 92 1 1 93 4 4 94 1 1 95 2 2 96 1 1 97 2 2 98 5 5 99 7 7 100 15 15 101 2 2 102 1 1 103 1 1 104 21 21 105 18 18 106 8 8 107 6 6 108 1 1 109 1 1 110 1 1 112 2 2 113 6 6 114 1 1 115 1 1 117 1 1 118 2 2 119 6 6 120 4 4 121 7 7 122 2 2 124 3 3 126 2 2 127 5 5 128 3 3 130 1 1 131 1 1 132 2 2 133 1 1 134 5 5 135 13 13 136 3 3 139 1 1 140 9 9 141 16 16 142 961 961 143 133 133 144 41 41 145 4 4 146 2 2 147 1 1 148 4 4 149 3 3 150 3 3 154 3 3 155 1 1 156 1 1 160 1 1 162 7 7 163 2 2 164 5 5 165 1 1 176 3 3 177 3 3 178 22 22 179 9 9 180 1 1 203 2 2 217 4 4 231 6 6 232 1 1 305 4 4 306 1 1 //