MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009222
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009222
RECORD_TITLE: PROPYL LACTATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: PROPYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O3
CH$EXACT_MASS: 132.07864
CH$SMILES: CCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3
CH$LINK: INCHIKEY
ILVGAIQLOCKNQA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3049334
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$SPLASH: splash10-0002-9000000000-ccffc76ca7f0a1d89b11
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
15 1.9 19
19 1.6 16
26 1.3 13
27 1.32 13
29 7.3 73
30 1.2 12
31 2.3 23
39 0.29 3
41 10.6 106
42 2 20
43 24.6 246
44 0.16 2
45 99.99 999
46 2.1 21
59 1.5 15
75 5.9 59
//
system version 2.2.8-SNAPSHOT