MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002625
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002625
RECORD_TITLE: GAMMA-CHLORO-N-BUTYRIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: GAMMA-CHLORO-N-BUTYRIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9ClO2
CH$EXACT_MASS: 136.02911
CH$SMILES: COC(=O)CCCCl
CH$IUPAC: InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
CH$LINK: INCHIKEY
ZZUYIRISBMWFMV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7062873
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0a4i-9400000000-0ba1698874baf8327ca1
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
39 15.6 156
41 9.4 94
42 10.6 106
49 1.73 17
51 3.9 39
55 12.2 122
59 66.4 664
60 0.67 7
69 4.4 44
74 84.3 843
75 17.8 178
76 0.33 3
77 48 480
79 13.9 139
105 99.99 999
106 0.39 4
107 32.4 324
//
system version 2.2.6-SNAPSHOT