MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010443
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010443
RECORD_TITLE: IODOACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
CH$NAME: IODOACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H5IO2
CH$EXACT_MASS: 199.93342
CH$SMILES: COC(=O)CI
CH$IUPAC: InChI=1S/C3H5IO2/c1-6-3(5)2-4/h2H2,1H3
CH$LINK: INCHIKEY
YDGMIJCIBXSCQR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30423925
AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-0uk9-7690000000-11c4a47c80e5297e59da
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
41 1.06 11
42 10.9 109
45 1.79 18
59 5.75 58
73 59.41 594
74 3.43 34
127 8.35 84
128 1.44 14
139 1.05 11
140 3.09 31
141 31.7 317
168 3.91 39
169 29.85 299
200 99.99 999
201 3.82 38
//