MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001788
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001788
RECORD_TITLE: TETRACOSANOIC ACID HEXYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: TETRACOSANOIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C30H60O2
CH$EXACT_MASS: 452.45933
CH$SMILES: C(CCCCCCCCCCCCCCCCCCC(=O)OCCCCCC)CCCC
CH$IUPAC: InChI=1S/C30H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30(31)32-29-27-8-6-4-2/h3-29H2,1-2H3
CH$LINK: INCHIKEY
MSAXLBRULWLEJE-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-08gi-9101000000-54b022172b90a781ce9b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
28 6.16 62
44 25.62 256
56 41.48 415
57 30.25 303
61 88.27 883
69 15.94 159
71 27.53 275
73 28.58 286
82 8.85 89
83 25.33 253
84 99.99 999
85 27 270
97 12.45 125
98 8.83 88
112 39.82 398
129 13.6 136
141 1.23 12
145 8.71 87
157 6.17 62
208 1.01 10
281 1.74 17
340 15.7 157
341 29.15 292
342 3.85 39
368 11.59 116
369 22.44 224
370 2.05 21
452 25.39 254
453 6.09 61
//