MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005876
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005876
RECORD_TITLE: PROPYL BROMIDE; 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$NAME: PROPYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7Br
CH$EXACT_MASS: 121.97311
CH$SMILES: CCCBr
CH$IUPAC: InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
CH$LINK: INCHIKEY
CYNYIHKIEHGYOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021874
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$SPLASH: splash10-0006-9100000000-866f6f6cbf77d251fbfe
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
15 2.51 25
26 4.25 43
27 37.19 372
28 4.58 46
29 5.23 52
37 1.96 20
38 3.05 31
39 13.41 134
40 2.29 23
41 36.86 369
42 9.81 98
43 99.99 999
44 3.49 35
93 1.31 13
95 1.31 13
107 1.74 17
109 1.53 15
122 14.61 146
123 0.87 9
124 14.29 143
//