MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000969
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000969
RECORD_TITLE: CHLOROMETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: CHLOROMETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: CH3Cl
CH$EXACT_MASS: 49.99233
CH$SMILES: CCl
CH$IUPAC: InChI=1S/CH3Cl/c1-2/h1H3
CH$LINK: CAS
74-87-3
CH$LINK: INCHIKEY
NEHMKBQYUWJMIP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0021541
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-0udi-9000000000-f4883c753908aef32411
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
35 8.4 84
37 3 30
47 11.9 119
48 0.5 5
49 13.3 133
50 99.99 999
51 4.6 46
52 34.2 342
//