MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005280
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005280
RECORD_TITLE: PROPYL CHLORIDE; EI-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$NAME: PROPYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7Cl
CH$EXACT_MASS: 78.02363
CH$SMILES: CCCCl
CH$IUPAC: InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
CH$LINK: INCHIKEY
SNMVRZFUUCLYTO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3051462
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$SPLASH: splash10-002f-9000000000-d0f3d2fc925f7ad3bfd6
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
15 2.32 23
26 4.52 45
27 35.53 355
28 13.79 138
29 44.44 444
30 1.03 10
37 2.43 24
38 3.36 34
39 11.36 114
40 3.24 32
41 23.82 238
42 99.99 999
43 13.91 139
49 3.77 38
51 1.39 14
63 4.63 46
65 1.33 13
78 6.03 60
80 2.02 20
//