MassBank Record: JP002807



 INDOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002807
RECORD_TITLE: INDOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: INDOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7N CH$EXACT_MASS: 117.05785 CH$SMILES: c(c2)cc(c1)c(c2)nc1 CH$IUPAC: InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9800000000-4160749bd673d5e00048 PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 27 3.9 39 28 11 110 29 0.2 2 31 0.02 0 32 0.1 1 36 0.7 7 37 4.7 47 38 0.67 7 39 9.8 98 40 1.9 19 41 1.5 15 42 0.01 0 43 0.9 9 44 0.3 3 45 0.1 1 48 0.03 0 49 1.5 15 50 6 60 51 5.1 51 52 0.32 3 53 0.5 5 54 0.2 2 56 0.1 1 57 0.01 0 58 1 10 59 0.9 9 60 0.5 5 61 0.37 4 62 8.2 82 63 15 150 64 5.3 53 65 0.17 2 66 0.4 4 67 0.3 3 73 0.4 4 74 0.15 2 75 1.3 13 76 1.1 11 77 0.5 5 78 0.01 0 79 0.1 1 84 0.3 3 85 1.1 11 86 0.19 2 87 2.2 22 88 2.9 29 89 25.5 255 90 3.77 38 91 3.7 37 92 0.1 1 111 0.1 1 114 0.05 1 116 8.7 87 117 99.99 999 118 9.1 91 119 0.04 0 115 0.9 9 //