MassBank Record: JP005268



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

ACCESSION: JP005268
RECORD_TITLE: O-CHLOROANILINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: O-CHLOROANILINE CH$NAME: 2-CHLOROANILINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H6ClN CH$EXACT_MASS: 127.01888 CH$SMILES: Nc(c1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2 CH$LINK: INCHIKEY AKCRQHGQIJBRMN-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-7900000000-67f5307905643f810ff5 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 37 2.92 29 38 4.83 48 39 8.11 81 40 1.06 11 41 3.76 38 42 1.24 12 44.5 1.95 20 45.5 8.95 90 50 1.91 19 51 1.86 19 52 5.62 56 61 2.13 21 62 3.14 31 63 8.2 82 63.5 6.52 65 64 9.66 97 64.5 2.08 21 65 18.12 181 66 2.52 25 73 3.01 30 75 1.19 12 90 2.53 25 91 8.16 82 92 17.38 174 93 1.46 15 99 4.09 41 100 5.4 54 101 2.08 21 102 1.82 18 126 1.81 18 127 99.99 999 128 7.71 77 129 32.54 325 130 2.35 24 //