MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005278
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005278
RECORD_TITLE: CHLOROACETIC ACID BUTYL ESTER; 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$NAME: CHLOROACETIC ACID BUTYL ESTER
CH$NAME: BUTYL CHLOROACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11ClO2
CH$EXACT_MASS: 150.04476
CH$SMILES: CCCCOC(=O)CCl
CH$IUPAC: InChI=1S/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
CH$LINK: INCHIKEY
YJRGMUWRPCPLNH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5060437
AC$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: splash10-0a6r-9000000000-bff09048d89d45767b35
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
14 1.55 16
15 2.42 24
26 2.13 21
27 18.14 181
28 10.13 101
29 50.87 509
30 1.09 11
31 4.03 40
39 9.44 94
40 1.78 18
41 57.25 573
42 9.33 93
43 9.91 99
48 1.04 10
49 17.05 171
51 5.13 51
53 1 10
55 12.27 123
56 99.99 999
57 73.6 736
58 3.17 32
60 1.84 18
71 2.99 30
73 1.32 13
76 1.41 14
77 40.17 402
78 1.38 14
79 12.38 124
95 5.64 56
97 1.78 18
107 5.3 53
109 1.9 19
121 1.03 10
//