MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006460
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006460
RECORD_TITLE: PROPYL 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$NAME: PROPYL FORMATE
CH$NAME: FORMIC ACID PROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8O2
CH$EXACT_MASS: 88.05243
CH$SMILES: CCCOC=O
CH$IUPAC: InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
CH$LINK: COMPTOX
DTXSID3059391
CH$LINK: INCHIKEY
KFNNIILCVOLYIR-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8073
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$SPLASH: splash10-000x-9000000000-01e41fef56d5b1410091
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
15 4.32 43
26 5.68 57
27 27.04 270
28 3.73 37
29 26.82 268
30 3.49 35
31 99.99 999
32 1.01 10
38 1.73 17
39 10.82 108
40 3.16 32
41 22.49 225
42 78.14 781
43 12.07 121
45 7.64 76
46 1.97 20
47 8.9 89
57 4.51 45
59 3.79 38
//