ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004141
RECORD_TITLE: 5-METHYL-N-OCTADECYL-2-PYRROLIDONE; 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$NAME: 5-METHYL-N-OCTADECYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₄₅NO
CH$EXACT_MASS: 351.35012
CH$SMILES: CCCCCCCCCCCCCCCCCCN(C(C)1)C(=O)CC1
CH$IUPAC: InChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-22(2)19-20-23(24)25/h22H,3-21H2,1-2H3
CH$LINK: INCHIKEY TYAMTTBZEDCFHI-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0nml-9713000000-1a0270e3b0961b76965e
PK$NUM_PEAK: 152
PK$PEAK: m/z int. rel.int.
  26 1.6 16
  27 7 70
  28 12.6 126
  29 1.74 17
  30 19.2 192
  31 1 10
  32 0.4 4
  38 0.04 0
  39 3.4 34
  40 1.4 14
  41 27.2 272
  42 0.78 8
  43 35.1 351
  44 10.4 104
  45 2.4 24
  50 0.04 0
  51 0.6 6
  52 0.2 2
  53 1.8 18
  54 0.2 2
  55 24.6 246
  56 20 200
  57 20.1 201
  58 0.26 3
  59 1 10
  60 0.4 4
  67 3.4 34
  68 0.15 2
  69 7 70
  70 5 50
  71 5.8 58
  72 0.2 2
  73 1 10
  81 1.2 12
  82 3 30
  83 1.18 12
  84 14.8 148
  85 8.4 84
  86 3 30
  87 0.1 1
  94 1 10
  95 1 10
  96 1.2 12
  97 0.28 3
  98 14 140
  99 2.7 27
  100 9.8 98
  101 0.16 2
  110 1.4 14
  111 2 20
  112 99.99 999
  113 9.16 92
  114 7.8 78
  115 1 10
  124 1.2 12
  125 0.1 1
  126 16 160
  127 8.2 82
  128 1.2 12
  129 0.06 1
  138 1.2 12
  139 0.8 8
  140 21 210
  141 0.74 7
  142 1.2 12
  143 0.6 6
  144 0.4 4
  149 0.12 1
  152 0.6 6
  153 0.4 4
  154 12.2 122
  155 0.36 4
  156 1.6 16
  157 0.4 4
  158 0.4 4
  166 0.05 1
  167 0.4 4
  168 10.1 101
  169 4.4 44
  170 0.12 1
  171 0.2 2
  172 0.4 4
  180 0.6 6
  181 0.04 0
  182 7.4 74
  183 3 30
  184 1.2 12
  185 0.06 1
  186 0.4 4
  194 0.8 8
  195 0.2 2
  196 0.82 8
  197 3.2 32
  198 1.4 14
  199 0.4 4
  208 0.06 1
  209 0.2 2
  210 6.6 66
  211 2.4 24
  212 0.14 1
  213 0.2 2
  222 0.4 4
  223 0.2 2
  224 0.58 6
  225 2.4 24
  226 0.8 8
  227 0.6 6
  236 0.05 1
  237 0.2 2
  238 3.8 38
  239 1.7 17
  240 0.1 1
  241 0.4 4
  250 0.6 6
  252 4.2 42
  253 0.18 2
  254 0.8 8
  266 4.8 48
  267 2.4 24
  268 0.12 1
  269 1 10
  270 0.4 4
  278 0.3 3
  280 0.48 5
  281 1.6 16
  282 0.8 8
  294 4.2 42
  295 0.18 2
  296 1.6 16
  297 0.7 7
  307 0.2 2
  308 0.4 4
  309 1.6 16
  310 0.4 4
  311 0.6 6
  321 0.06 1
  322 4 40
  323 2.4 24
  324 1 10
  325 0.02 0
  334 2.2 22
  335 0.6 6
  336 22.2 222
  337 0.58 6
  338 1 10
  339 0.2 2
  349 0.6 6
  350 0.46 5
  351 50.4 504
  352 14.8 148
  353 2.4 24
  354 0.6 6
//