MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006461
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006461
RECORD_TITLE: ISOPROPYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ISOPROPYL FORMATE
CH$NAME: 1-METHYLETHYL FORMATE
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 M-80B
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: splash10-0007-9000000000-0968ec9561e5c96369e0
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
26 2.12 21
27 22.15 222
28 1.74 17
29 17.75 178
31 4.53 45
37 1.11 11
38 2.67 27
39 15.04 150
40 3.06 31
41 35.26 353
42 42.57 426
43 36.72 367
44 2.24 22
45 99.99 999
46 2.02 20
47 6.9 69
59 5.94 59
73 20.69 207
//