MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005193
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005193
RECORD_TITLE: BENZYL CHLORIDE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, 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$LINK: INCHIKEY
KCXMKQUNVWSEMD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020153
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
//
system version 2.2.6-SNAPSHOT