ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004184
RECORD_TITLE: 3-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$NAME: 3-METHYL-N-OCTADECYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H45NO
CH$EXACT_MASS: 351.35012
CH$SMILES: CCCCCCCCCCCCCCCCCCN(C1)C(=O)C(C)C1
CH$IUPAC: InChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22(2)23(24)25/h22H,3-21H2,1-2H3
CH$LINK: INCHIKEY MBWBDJQUYZJOBQ-UHFFFAOYSA-N
AC$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: splash10-0ikc-8913000000-e7654c95c501d0c74493
PK$NUM_PEAK: 164
PK$PEAK: m/z int. rel.int.
  25 0.2 2
  26 1.6 16
  27 7 70
  28 1.16 12
  29 17 170
  30 19 190
  31 1 10
  32 0.02 0
  38 0.4 4
  39 3.4 34
  40 1.3 13
  41 2.6 26
  42 7.8 78
  43 33 330
  44 2.3 23
  53 0.16 2
  54 1.8 18
  55 25 250
  56 20 200
  57 2 20
  58 1.6 16
  59 1 10
  60 0.3 3
  65 0.02 0
  66 0.1 1
  67 3.4 34
  68 1.6 16
  69 0.7 7
  70 5 50
  71 5.8 58
  72 2 20
  73 0.1 1
  81 1.2 12
  82 3 30
  83 11.8 118
  84 1.96 20
  85 8.4 84
  86 3 30
  87 1 10
  93 0.03 0
  94 1 10
  95 1 10
  96 1.2 12
  97 0.28 3
  98 15 150
  99 2.6 26
  100 10 100
  101 0.16 2
  110 1.3 13
  111 2 20
  112 99.99 999
  113 9.14 91
  114 7.8 78
  115 1 10
  121 0.4 4
  122 0.02 0
  123 0.2 2
  124 1.2 12
  125 1 10
  126 1.5 15
  127 8.2 82
  128 1.2 12
  129 0.5 5
  131 0.06 1
  135 0.2 2
  136 0.2 2
  137 0.2 2
  138 0.12 1
  139 0.8 8
  140 21 210
  141 7.3 73
  142 0.12 1
  143 0.6 6
  144 0.4 4
  145 0.2 2
  152 0.06 1
  153 0.3 3
  154 12 120
  155 3.6 36
  156 0.14 1
  157 0.4 4
  158 0.4 4
  159 0.2 2
  166 0.04 0
  167 0.2 2
  168 10 100
  169 4.4 44
  170 0.12 1
  171 0.2 2
  180 0.6 6
  181 0.3 3
  182 0.73 7
  183 3 30
  184 1.2 12
  185 0.6 6
  186 0.04 0
  194 0.6 6
  196 8.2 82
  197 3.2 32
  198 0.14 1
  199 0.4 4
  208 0.6 6
  209 0.2 2
  210 0.64 6
  211 2.4 24
  212 1.4 14
  213 0.2 2
  222 0.04 0
  223 0.1 1
  224 5.6 56
  225 2.4 24
  226 0.08 1
  227 0.6 6
  236 0.4 4
  237 0.2 2
  238 0.38 4
  239 1.8 18
  240 1 10
  241 0.3 3
  250 0.04 0
  251 0.1 1
  252 4.2 42
  253 1.8 18
  254 0.08 1
  255 0.1 1
  264 0.2 2
  265 0.1 1
  266 0.48 5
  267 2.4 24
  268 1.2 12
  269 1 10
  270 0.03 0
  278 0.2 2
  279 0.1 1
  280 4.8 48
  281 0.16 2
  282 0.8 8
  294 4.2 42
  295 1.8 18
  296 0.15 2
  297 0.7 7
  307 0.1 1
  308 4 40
  309 0.16 2
  310 0.4 4
  311 0.4 4
  312 0.1 1
  320 0.04 0
  321 0.6 6
  322 4 40
  323 2.4 24
  324 0.1 1
  325 0.2 2
  334 2.2 22
  335 0.6 6
  336 2.2 22
  337 6 60
  338 1 10
  349 0.6 6
  350 0.46 5
  351 50 500
  352 14 140
  353 2.4 24
  354 0.6 6
//
