MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009229
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009229
RECORD_TITLE: NONYL 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$NAME: NONYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24O3
CH$EXACT_MASS: 216.17254
CH$SMILES: CCCCCCCCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-10-15-12(14)11(2)13/h11,13H,3-10H2,1-2H3
CH$LINK: INCHIKEY
XYQKYLPARUIQOX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40515406
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$SPLASH: splash10-052g-9000000000-6087fa7586102d199d0a
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
15 3.8 38
17 1.2 12
18 1.8 18
19 0.17 2
26 1.4 14
27 18 180
29 23.2 232
30 0.12 1
31 3.2 32
39 8.7 87
41 48.7 487
42 1.39 14
43 94.8 948
44 5.1 51
45 99.99 999
46 0.22 2
53 2.6 26
54 2.8 28
55 32.9 329
56 2.12 21
57 47.5 475
58 2 20
63 3.9 39
67 0.26 3
68 3.9 39
69 11.9 119
70 12 120
71 3.81 38
72 2.4 24
75 1.8 18
81 1.1 11
82 0.28 3
83 7.8 78
84 6.4 64
85 22.3 223
86 0.19 2
90 1.5 15
91 6 60
96 1.3 13
97 0.64 6
98 6.6 66
126 7.2 72
127 1.2 12
171 1.3 13
//