MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009711
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009711
RECORD_TITLE: TRIMETHYLOLPROPANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: TRIMETHYLOLPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O3
CH$EXACT_MASS: 134.09429
CH$SMILES: CCC(CO)(CO)CO
CH$IUPAC: InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
CH$LINK: INCHIKEY
ZJCCRDAZUWHFQH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2026448
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4r-9000000000-3b6bff344c9a1394dfe7
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
29 17.23 172
31 7.14 71
39 1.34 13
41 18.86 189
42 3.7 37
43 20.08 201
44 13.26 133
45 4.47 45
47 2.16 22
53 1.87 19
54 1 10
55 23.5 235
56 4.29 43
57 99.99 999
58 9.71 97
59 1.23 12
61 2.01 20
67 7.64 76
68 14.17 142
69 9.72 97
70 11.86 119
71 21.72 217
72 1.91 19
73 3.38 34
83 5.37 54
84 1 10
85 8.63 86
86 64.25 643
87 4.43 44
103 0.76 8
//