MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005286
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005286
RECORD_TITLE: TERT-BUTYL 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$NAME: TERT-BUTYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H9Cl
CH$EXACT_MASS: 92.03928
CH$SMILES: CC(C)(C)Cl
CH$IUPAC: InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3
CH$LINK: INCHIKEY
NBRKLOOSMBRFMH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2023937
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$SPLASH: splash10-0a6u-9000000000-a79b092d10fb12408ae6
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
15 2.2 22
26 2.2 22
27 12.03 120
28 3.88 39
29 23.16 232
37 1.68 17
38 3.49 35
39 20.07 201
40 2.98 30
41 63.73 637
42 3.36 34
49 2.07 21
50 1.81 18
51 1.55 16
53 1.29 13
55 3.75 38
56 5.7 57
57 99.99 999
58 4.4 44
59 1.95 20
76 2.85 29
77 37.54 375
78 1.81 18
79 12.3 123
//