MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006800
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006800
RECORD_TITLE: PROPYL CHLORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PROPYL CHLORIDE
CH$NAME: 1-CHLOROPROPANE
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-7M
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-9000000000-4dc037b9bf831fd5f05d
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 2.15 22
26 4.45 45
27 33.06 331
28 13.05 131
29 39.81 398
37 2.67 27
38 3.71 37
39 12.38 124
40 3.19 32
41 24.17 242
42 99.99 999
43 14.9 149
49 3.78 38
51 1.26 13
63 3.93 39
65 1.33 13
78 2 20
80 0.67 7
//
system version 2.2.6-SNAPSHOT