MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008865
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008865
RECORD_TITLE: ISOPROPYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ISOPROPYL FORMATE
CH$NAME: FORMIC ACID ISOPROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O2
CH$EXACT_MASS: 88.05243
CH$SMILES: O=COC(C)C
CH$IUPAC: InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3
CH$LINK: INCHIKEY
RMOUBSOVHSONPZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2027258
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0007-9000000000-f684de40bfbe24a368ed
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
15 5.04 50
19 4.97 50
27 20.78 208
28 2.61 26
29 9.57 96
31 4.35 44
39 9.48 95
40 2.61 26
41 30.26 303
42 48.26 483
43 40.17 402
44 3.04 30
45 99.99 999
46 2.61 26
47 6.96 70
59 5.13 51
73 20.43 204
//