MassBank Record: JP005193



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

ACCESSION: JP005193
RECORD_TITLE: BENZYL CHLORIDE; CI-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$NAME: BENZYL CHLORIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H7Cl CH$EXACT_MASS: 126.02363 CH$SMILES: ClCc(c1)cccc1 CH$IUPAC: InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 CH$LINK: INCHIKEY KCXMKQUNVWSEMD-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0006-9300000000-c3afd89818a380776911 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 89 1.48 15 90 0.82 8 91 99.99 999 92 16.99 170 93 0.93 9 126 26.83 268 127 3.66 37 128 8.64 86 129 1.74 17 //