MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005279
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005279
RECORD_TITLE: CHLOROACETIC ACID ALLYL 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$NAME: CHLOROACETIC ACID ALLYL ESTER
CH$NAME: ALLYL CHLOROACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H7ClO2
CH$EXACT_MASS: 134.01346
CH$SMILES: C=CCOC(=O)CCl
CH$IUPAC: InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
CH$LINK: INCHIKEY
VMBJJCDVORDOCF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90183417
AC$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: splash10-054x-9000000000-bbc79634cdf3cdb429e3
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
14 3.51 35
15 3.9 39
26 4.56 46
27 12.31 123
28 4.46 45
29 8.75 88
30 1.14 11
31 2.94 29
37 1.95 20
38 4.27 43
39 41.44 414
40 11.38 114
41 99.99 999
42 13.78 138
43 3.75 38
47 1 10
48 2.04 20
49 28.99 290
50 2.04 20
51 8.94 89
55 3.19 32
57 27.33 273
58 83.89 839
59 2.75 28
70 1.71 17
71 4.81 48
75 1.23 12
76 3.28 33
77 54.18 542
78 2 20
79 17.11 171
85 23.57 236
86 1.23 12
95 2.09 21
99 1.14 11
//