MassBank Record: JP005272



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

ACCESSION: JP005272
RECORD_TITLE: P-CHLOROTOLUENE; 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$NAME: P-CHLOROTOLUENE CH$NAME: 4-CHLOROTOLUENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H7Cl CH$EXACT_MASS: 126.02363 CH$SMILES: Cc(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 CH$LINK: INCHIKEY NPDACUSDTOMAMK-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$SPLASH: splash10-002f-9300000000-06a13ca9fc2642d0199a PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 27 1.29 13 37 1.39 14 38 2.27 23 39 8.59 86 41 1.03 10 43 2.12 21 44 2.07 21 44.5 1.75 18 45 7.03 70 50 4.97 50 51 4.29 43 61 2.07 21 62 4.4 44 63 10.76 108 64 2.12 21 65 8.07 81 73 2.84 28 74 1.55 16 75 2.07 21 86 1.14 11 87 1.03 10 89 8.95 90 90 3.15 32 91 99.99 999 92 7.97 80 99 2.58 26 125 16.97 170 126 40.34 403 127 7.96 80 128 12.78 128 129 1.13 11 //